3-benzylsulfanyl-5-pyridin-2-yl-1,2,4-triazol-4-amine

C14H13N5S — CID 931738

IUPAC3-benzylsulfanyl-5-pyridin-2-yl-1,2,4-triazol-4-amine
SMILESNn1c(SCc2ccccc2)nnc1-c1ccccn1
InChIInChI=1S/C14H13N5S/c15-19-13(12-8-4-5-9-16-12)17-18-14(19)20-10-11-6-2-1-3-7-11/h1-9H,10,15H2
InChIKeyFBIBMMSHUYWFAU-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.35
Rot. Bonds4

About 3-benzylsulfanyl-5-pyridin-2-yl-1,2,4-triazol-4-amine

3-benzylsulfanyl-5-pyridin-2-yl-1,2,4-triazol-4-amine (PubChem CID 931738) has the molecular formula C14H13N5S and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-benzylsulfanyl-5-pyridin-2-yl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-benzylsulfanyl-5-pyridin-2-yl-1,2,4-triazol-4-amine
PubChem CID931738
Molecular FormulaC14H13N5S
Molecular Weight283.36 g/mol
Exact Mass283.09
IUPAC Name3-benzylsulfanyl-5-pyridin-2-yl-1,2,4-triazol-4-amine
SMILESNn1c(SCc2ccccc2)nnc1-c1ccccn1
InChIInChI=1S/C14H13N5S/c15-19-13(12-8-4-5-9-16-12)17-18-14(19)20-10-11-6-2-1-3-7-11/h1-9H,10,15H2
InChIKeyFBIBMMSHUYWFAU-UHFFFAOYSA-N
XLogP2.35
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-benzylsulfanyl-5-pyridin-2-yl-1,2,4-triazol-4-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 3-benzylsulfanyl-5-pyridin-2-yl-1,2,4-triazol-4-amine?
The IUPAC name of 3-benzylsulfanyl-5-pyridin-2-yl-1,2,4-triazol-4-amine (CID 931738) is 3-benzylsulfanyl-5-pyridin-2-yl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-benzylsulfanyl-5-pyridin-2-yl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-benzylsulfanyl-5-pyridin-2-yl-1,2,4-triazol-4-amine is Nn1c(SCc2ccccc2)nnc1-c1ccccn1.
What is the InChIKey of 3-benzylsulfanyl-5-pyridin-2-yl-1,2,4-triazol-4-amine?
The InChIKey is FBIBMMSHUYWFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5S/c15-19-13(12-8-4-5-9-16-12)17-18-14(19)20-10-11-6-2-1-3-7-11/h1-9H,10,15H2.
What are the key properties of 3-benzylsulfanyl-5-pyridin-2-yl-1,2,4-triazol-4-amine?
3-benzylsulfanyl-5-pyridin-2-yl-1,2,4-triazol-4-amine has a molecular weight of 283.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanyl-5-pyridin-2-yl-1,2,4-triazol-4-amine is sourced from PubChem (CID 931738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).