1,3-dimethyl-1H-1,2,4-triazol-5-amine

HCID 307975
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Basic information

CAS
51108-32-8
Standard SMILES
Cc1nc(N)n(C)n1
InChIKey
LSSJKEGYOGBWTN-UHFFFAOYSA-N
Molecular formula
C4H8N4
Average molar mass
112.13 g/mol
Monoisotopic mass
112.07489626

Names & identifiers

Preferred name
1,3-dimethyl-1H-1,2,4-triazol-5-amine
IUPAC
2,5-dimethyl-1,2,4-triazol-3-amine
English name
1,3-Dimethyl-1H-1,2,4-triazol-5-amine
Molecular formula
C4H8N4
Molecular weight
112.13

Names & synonyms

1,3-dimethyl-1H-1,2,4-triazol-5-amine51108-32-82,5-dimethyl-1,2,4-triazol-3-amineMFCD02728833dimethyl-1H-1,2,4-triazol-5-amine2,5-Dimethyl-1,2-dihydro-3h-1,2,4-triazol-3-imineNSC207089SCHEMBL3518411SCHEMBL27400887DTXSID60308670LSSJKEGYOGBWTN-UHFFFAOYSA-NAKOS002161919
Show more names
1H-1,2,4-Triazol-5-amine, 1,3-dimethyl-1,3-dimethyl-1H-1,2,4-triazol-5-amine(SALTDATA: FREE)
AT12327NSC-2070895-amino-1,3-dimethyl-1,2,4-triazoleBS-381301,3-dimethyl-1,2,4-triazole-5-ylamineDB-190760CS-0282253ST50036771

Database identifiers

CAS
51108-32-8
PubChem CID
307975
DTXSID
DTXSID60308670

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
56.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
8

Physicochemical properties

Melting point
152 · 152-153 °C
Boiling point
300.708 · 300.708±25.00 °C(Press: 760.00 Torr)(predicted)
Density
1.346 · 1.346±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
3.922 · 3.922±0.10(predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers7 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海旭晗化学科技有限公司15921303235 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
南京新瑞医药科技有限公司19850079587 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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