[1,2,4]Triazolo[1,5-a]pyrazine

HCID 136241
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Basic information

CAS
399-66-6
Standard SMILES
c1cn2ncnc2cn1
InChIKey
DFDJVPRVKHSWQH-UHFFFAOYSA-N
Molecular formula
C5H4N4
Average molar mass
120.11 g/mol
Monoisotopic mass
120.04359615

Names & identifiers

Preferred name
[1,2,4]Triazolo[1,5-a]pyrazine
IUPAC
[1,2,4]triazolo[1,5-a]pyrazine
English name
(1,2,4)Triazolo(1,5-a)pyrazine
Molecular formula
C5H4N4
Molecular weight
120.11

Names & synonyms

[1,2,4]Triazolo[1,5-a]pyrazine399-66-6(1,2,4)Triazolo(1,5-a)pyrazines-Triazolo[1,5-a]pyrazineDTXSID90192943s-Triazolo(1,5-a)pyrazineRefChem:68084DTXCID30115434DFDJVPRVKHSWQH-UHFFFAOYSA-NInChI=1/C5H4N4/c1-2-9-5(3-6-1)7-4-8-9/h1-4MFCD09834988SCHEMBL259029
Show more names
SCHEMBL275037SCHEMBL12079446SCHEMBL22658563SCHEMBL226585671,2,4]triazolo[1,5-a]pyrazine[1,2,4]-triazolo[1,5-a]pyrazineAKOS006328964[1,2,4]triazolo[1,5-alpha]pyrazine

Database identifiers

CAS
399-66-6
PubChem CID
136241
DTXSID
DTXSID90192943
EC Number
981-500-4
Nikkaji
J101.085I

Properties

Computed structural properties

XLogP
-0.3
Topological polar surface area
43.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
9

Experimental & physicochemical properties

Kovats Retention Index1675

Physicochemical properties

Melting point
125 · 125-126 °C
Density
1.48 · 1.48±0.1 g/cm3(Predicted)
storage temp.
Store at room temperature
pka
0.08 · 0.08±0.30(Predicted)
Appearance
Off-white to light brown Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Chemistry & industry

Upstream & downstream products

Suppliers46 total

上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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