Basic information
- CAS
1079991-74-4- Standard SMILES
Cc1nc2cccc(C(=O)O)n2n1- InChIKey
DGFMYTLETPUYHD-UHFFFAOYSA-N- Molecular formula
- C8H7N3O2
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.05382648
Names & identifiers
- Preferred name
- 2-Methyl-(1,2,4)triazolo(1,5-a)pyridine-5-carboxylic acid
- IUPAC
- 2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
- English name
- 2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
- Molecular formula
- C8H7N3O2
- Molecular weight
- 177.16
Names & synonyms
2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid1079991-74-42-Methyl-(1,2,4)triazolo(1,5-a)pyridine-5-carboxylic acidRefChem:474713983-535-0SCHEMBL543707DGFMYTLETPUYHD-UHFFFAOYSA-NETB99174SB74617DB-150023EN300-192485G73722
Show more names
[1,2,4]Triazolo[1,5-a]pyridine-5-carboxylic acid, 2-methyl-
F552935Z12625600792-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylicacid2-methyl[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
Database identifiers
- CAS
1079991-74-4- PubChem CID
- 59451908
- EC Number
- 983-535-0
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- -0.22 · -0.22±0.41(Predicted)
- Appearance
- White to off-white Solid
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers7 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Related reactions
2 records
Compound notes
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