1-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine

C7H11N7 — CID 130645832

IUPAC1-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESCn1cnc(NCc2cnnn2C)n1
InChIInChI=1S/C7H11N7/c1-13-5-9-7(11-13)8-3-6-4-10-12-14(6)2/h4-5H,3H2,1-2H3,(H,8,11)
InChIKeyGWADRYZIPSXNQC-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.44
Rot. Bonds3

About 1-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine

1-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine (PubChem CID 130645832) has the molecular formula C7H11N7 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine
PubChem CID130645832
Molecular FormulaC7H11N7
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name1-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESCn1cnc(NCc2cnnn2C)n1
InChIInChI=1S/C7H11N7/c1-13-5-9-7(11-13)8-3-6-4-10-12-14(6)2/h4-5H,3H2,1-2H3,(H,8,11)
InChIKeyGWADRYZIPSXNQC-UHFFFAOYSA-N
XLogP-0.44
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 1-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine (CID 130645832) is 1-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 1-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine is Cn1cnc(NCc2cnnn2C)n1.
What is the InChIKey of 1-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is GWADRYZIPSXNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7/c1-13-5-9-7(11-13)8-3-6-4-10-12-14(6)2/h4-5H,3H2,1-2H3,(H,8,11).
What are the key properties of 1-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine?
1-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 193.21 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 130645832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).