Basic information
- CAS
274-85-1- Standard SMILES
c1ccn2ncnc2c1- InChIKey
DACWQSNZECJJGG-UHFFFAOYSA-N- Molecular formula
- C6H5N3
- Average molar mass
- 119.12 g/mol
- Monoisotopic mass
- 119.04834716
Names & identifiers
- Preferred name
- (1,2,4)Triazolo(1,5-a)pyridine
- IUPAC
- [1,2,4]triazolo[1,5-a]pyridine
- English name
- 1,7,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene
- Molecular formula
- C6H5N3
- Molecular weight
- 119.12
Names & synonyms
[1,2,4]Triazolo[1,5-a]pyridine274-85-11,3,3a-Triazaindene1,3-Diazaindolizines-Triazolo(1,5-a)pyridines-Triazolo[1,5-a]pyridine(1,2,4)Triazolo(1,5-a)pyridineDTXSID40181822NSC 99874RefChem:68085DTXCID80104313DACWQSNZECJJGG-UHFFFAOYSA-N
Show more names
InChI=1/C6H5N3/c1-2-4-9-6(3-1)7-5-8-9/h1-5MFCD03700708SCHEMBL2122411,7,9-TRIAZABICYCLO[4.3.0]NONA-2,4,6,8-TETRAENE[1,4]Triazolo[1,5-a]pyridineSCHEMBL133916SCHEMBL133917SCHEMBL750236
Database identifiers
- CAS
274-85-1- PubChem CID
- 67508
- DTXSID
DTXSID40181822- EC Number
- 808-961-5
- Nikkaji
- J101.066B
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 104
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 110 · 110-112 °C
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 2.7 · 2.70±0.30(Predicted)
- form
- solid
- Appearance
- Off-white to yellow Solid
- InChI
- 1S/C6H5N3/c1-2-4-9-6(3-1)7-5-8-9/h1-5H
- InChIKey
- DACWQSNZECJJGG-UHFFFAOYSA-N
- SMILES
- N1(C=CC=C2)C2=NC=N1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933998090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses[1,2,4]Triazolo[1,5-a]pyridine (cas# 274-85-1) is a useful reactant in the synthesis of 1,2,4-triazolo[4,3-a]quinolines.
Upstream & downstream products
Downstream products
Suppliers41 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
济南深丽康化工科技有限公司0531-86092839 15318817273 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
苏州亚衍医药科技有限公司17715136450 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
TargetMol 中国（陶术生物）
Related reactions
1 records
Compound notes
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