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

C3H6N4 — CID 566503

IUPAC1-methyl-1,2,4-triazol-3-amine
SMILESCn1cnc(N)n1
InChIInChI=1S/C3H6N4/c1-7-2-5-3(4)6-7/h2H,1H3,(H2,4,6)
InChIKeyCNSCXLZIKKHZND-UHFFFAOYSA-N
MW98.11 g/mol
LogP-0.60
Rot. Bonds

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

1-methyl-1,2,4-triazol-3-amine (PubChem CID 566503) has the molecular formula C3H6N4 and a molecular weight of 98.11 g/mol. Its IUPAC name is 1-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-methyl-1,2,4-triazol-3-amine
PubChem CID566503
Molecular FormulaC3H6N4
Molecular Weight98.11 g/mol
Exact Mass98.06
IUPAC Name1-methyl-1,2,4-triazol-3-amine
SMILESCn1cnc(N)n1
InChIInChI=1S/C3H6N4/c1-7-2-5-3(4)6-7/h2H,1H3,(H2,4,6)
InChIKeyCNSCXLZIKKHZND-UHFFFAOYSA-N
XLogP-0.60
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.11
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 1-methyl-1,2,4-triazol-3-amine (CID 566503) is 1-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 1-methyl-1,2,4-triazol-3-amine is Cn1cnc(N)n1.
What is the InChIKey of 1-methyl-1,2,4-triazol-3-amine?
The InChIKey is CNSCXLZIKKHZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4/c1-7-2-5-3(4)6-7/h2H,1H3,(H2,4,6).
What are the key properties of 1-methyl-1,2,4-triazol-3-amine?
1-methyl-1,2,4-triazol-3-amine has a molecular weight of 98.11 g/mol, XLogP of -0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 566503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).