1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine

C6H12N4S — CID 21478202

IUPAC1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine
SMILESCC(N)CSc1nncn1C
InChIInChI=1S/C6H12N4S/c1-5(7)3-11-6-9-8-4-10(6)2/h4-5H,3,7H2,1-2H3
InChIKeyCYHFRAYHJMDZKP-UHFFFAOYSA-N
MW172.26 g/mol
LogP0.25
Rot. Bonds3

About 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine

1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine (PubChem CID 21478202) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine
PubChem CID21478202
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC Name1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine
SMILESCC(N)CSc1nncn1C
InChIInChI=1S/C6H12N4S/c1-5(7)3-11-6-9-8-4-10(6)2/h4-5H,3,7H2,1-2H3
InChIKeyCYHFRAYHJMDZKP-UHFFFAOYSA-N
XLogP0.25
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-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-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine?
The IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine (CID 21478202) is 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine.
What is the SMILES notation for 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine?
The canonical SMILES for 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine is CC(N)CSc1nncn1C.
What is the InChIKey of 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine?
The InChIKey is CYHFRAYHJMDZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-5(7)3-11-6-9-8-4-10(6)2/h4-5H,3,7H2,1-2H3.
What are the key properties of 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine?
1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine has a molecular weight of 172.26 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine is sourced from PubChem (CID 21478202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).