2-methyl-1,3-dihydro-1,2,4-triazol-3-amine

C3H8N4 — CID 123534053

IUPAC2-methyl-1,3-dihydro-1,2,4-triazol-3-amine
SMILESCN1NC=NC1N
InChIInChI=1S/C3H8N4/c1-7-3(4)5-2-6-7/h2-3H,4H2,1H3,(H,5,6)
InChIKeyITICEAWKGNLLPP-UHFFFAOYSA-N
MW100.12 g/mol
LogP-1.29
Rot. Bonds

About 2-methyl-1,3-dihydro-1,2,4-triazol-3-amine

2-methyl-1,3-dihydro-1,2,4-triazol-3-amine (PubChem CID 123534053) has the molecular formula C3H8N4 and a molecular weight of 100.12 g/mol. Its IUPAC name is 2-methyl-1,3-dihydro-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-methyl-1,3-dihydro-1,2,4-triazol-3-amine
PubChem CID123534053
Molecular FormulaC3H8N4
Molecular Weight100.12 g/mol
Exact Mass100.07
IUPAC Name2-methyl-1,3-dihydro-1,2,4-triazol-3-amine
SMILESCN1NC=NC1N
InChIInChI=1S/C3H8N4/c1-7-3(4)5-2-6-7/h2-3H,4H2,1H3,(H,5,6)
InChIKeyITICEAWKGNLLPP-UHFFFAOYSA-N
XLogP-1.29
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine
CID 142107204
1,5-dimethyl-2,5-dihydro-1,2,4-triazin-6-one
CID 14896775
3-methyl-2-propyl-1,3-dihydro-1,2,4-triazole
CID 154326537
9-methyl-3,6-dihydropurin-6-amine
CID 59926192
4-chloro-1-methyl-2,3,5,7a-tetrahydropyrazolo[3,4-d]pyrimidine
CID 67270173
1,3-dimethyl-2,4-dihydrotriazol-1-ium-4-thiolate
CID 58738746
2-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,3-b]azepin-6-amine
CID 155145788
2-methyl-4,5-dihydro-3H-pyridazin-4-amine
CID 144761164
5,6-dimethyl-1,4-dihydropyrimidin-4-amine
CID 90453936
1,5-di(propan-2-yl)-2,5-dihydro-1,2,4-triazin-6-one
CID 20641757
5-[(2S)-2-bromo-3-methylbutan-2-yl]-4,5-dihydro-1H-pyrazol-3-amine
CID 142795615
N-[(2-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine
CID 103568948

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dihydro-1,2,4-triazol-3-amine?
The IUPAC name of 2-methyl-1,3-dihydro-1,2,4-triazol-3-amine (CID 123534053) is 2-methyl-1,3-dihydro-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-methyl-1,3-dihydro-1,2,4-triazol-3-amine?
The canonical SMILES for 2-methyl-1,3-dihydro-1,2,4-triazol-3-amine is CN1NC=NC1N.
What is the InChIKey of 2-methyl-1,3-dihydro-1,2,4-triazol-3-amine?
The InChIKey is ITICEAWKGNLLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4/c1-7-3(4)5-2-6-7/h2-3H,4H2,1H3,(H,5,6).
What are the key properties of 2-methyl-1,3-dihydro-1,2,4-triazol-3-amine?
2-methyl-1,3-dihydro-1,2,4-triazol-3-amine has a molecular weight of 100.12 g/mol, XLogP of -1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dihydro-1,2,4-triazol-3-amine is sourced from PubChem (CID 123534053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).