5-cyclobutylsulfanyl-4-cyclopropyl-1,2,4-triazol-3-amine

C9H14N4S — CID 131036071

IUPAC5-cyclobutylsulfanyl-4-cyclopropyl-1,2,4-triazol-3-amine
SMILESNc1nnc(SC2CCC2)n1C1CC1
InChIInChI=1S/C9H14N4S/c10-8-11-12-9(13(8)6-4-5-6)14-7-2-1-3-7/h6-7H,1-5H2,(H2,10,11)
InChIKeyPGFGKSMXRLHVNA-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.84
Rot. Bonds3

About 5-cyclobutylsulfanyl-4-cyclopropyl-1,2,4-triazol-3-amine

5-cyclobutylsulfanyl-4-cyclopropyl-1,2,4-triazol-3-amine (PubChem CID 131036071) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 5-cyclobutylsulfanyl-4-cyclopropyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-cyclobutylsulfanyl-4-cyclopropyl-1,2,4-triazol-3-amine
PubChem CID131036071
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name5-cyclobutylsulfanyl-4-cyclopropyl-1,2,4-triazol-3-amine
SMILESNc1nnc(SC2CCC2)n1C1CC1
InChIInChI=1S/C9H14N4S/c10-8-11-12-9(13(8)6-4-5-6)14-7-2-1-3-7/h6-7H,1-5H2,(H2,10,11)
InChIKeyPGFGKSMXRLHVNA-UHFFFAOYSA-N
XLogP1.84
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclobutylsulfanyl-4-cyclopropyl-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 5-cyclobutylsulfanyl-4-cyclopropyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-cyclobutylsulfanyl-4-cyclopropyl-1,2,4-triazol-3-amine (CID 131036071) is 5-cyclobutylsulfanyl-4-cyclopropyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-cyclobutylsulfanyl-4-cyclopropyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-cyclobutylsulfanyl-4-cyclopropyl-1,2,4-triazol-3-amine is Nc1nnc(SC2CCC2)n1C1CC1.
What is the InChIKey of 5-cyclobutylsulfanyl-4-cyclopropyl-1,2,4-triazol-3-amine?
The InChIKey is PGFGKSMXRLHVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c10-8-11-12-9(13(8)6-4-5-6)14-7-2-1-3-7/h6-7H,1-5H2,(H2,10,11).
What are the key properties of 5-cyclobutylsulfanyl-4-cyclopropyl-1,2,4-triazol-3-amine?
5-cyclobutylsulfanyl-4-cyclopropyl-1,2,4-triazol-3-amine has a molecular weight of 210.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutylsulfanyl-4-cyclopropyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 131036071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).