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

C3H8N4 — CID 15178491

IUPAC2-methyl-3H-1,2,4-triazol-4-amine
SMILESCN1CN(N)C=N1
InChIInChI=1S/C3H8N4/c1-6-3-7(4)2-5-6/h2H,3-4H2,1H3
InChIKeyWDIWZRPJZMWBMS-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.99
Rot. Bonds

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

2-methyl-3H-1,2,4-triazol-4-amine (PubChem CID 15178491) has the molecular formula C3H8N4 and a molecular weight of 100.12 g/mol. Its IUPAC name is 2-methyl-3H-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name2-methyl-3H-1,2,4-triazol-4-amine
PubChem CID15178491
Molecular FormulaC3H8N4
Molecular Weight100.12 g/mol
Exact Mass100.07
IUPAC Name2-methyl-3H-1,2,4-triazol-4-amine
SMILESCN1CN(N)C=N1
InChIInChI=1S/C3H8N4/c1-6-3-7(4)2-5-6/h2H,3-4H2,1H3
InChIKeyWDIWZRPJZMWBMS-UHFFFAOYSA-N
XLogP-0.99
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-1,2,4-triazol-4-amine?
The IUPAC name of 2-methyl-3H-1,2,4-triazol-4-amine (CID 15178491) is 2-methyl-3H-1,2,4-triazol-4-amine.
What is the SMILES notation for 2-methyl-3H-1,2,4-triazol-4-amine?
The canonical SMILES for 2-methyl-3H-1,2,4-triazol-4-amine is CN1CN(N)C=N1.
What is the InChIKey of 2-methyl-3H-1,2,4-triazol-4-amine?
The InChIKey is WDIWZRPJZMWBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4/c1-6-3-7(4)2-5-6/h2H,3-4H2,1H3.
What are the key properties of 2-methyl-3H-1,2,4-triazol-4-amine?
2-methyl-3H-1,2,4-triazol-4-amine has a molecular weight of 100.12 g/mol, XLogP of -0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-1,2,4-triazol-4-amine is sourced from PubChem (CID 15178491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).