5-pyridin-3-yl-3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazin-2-amine

C15H11N7S — CID 59472065

IUPAC5-pyridin-3-yl-3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazin-2-amine
SMILESNc1ncc(-c2cccnc2)nc1-c1n[nH]c(-c2cccs2)n1
InChIInChI=1S/C15H11N7S/c16-13-12(15-20-14(21-22-15)11-4-2-6-23-11)19-10(8-18-13)9-3-1-5-17-7-9/h1-8H,(H2,16,18)(H,20,21,22)
InChIKeySMOZJQGWBZCYSO-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.63
Rot. Bonds3

About 5-pyridin-3-yl-3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazin-2-amine

5-pyridin-3-yl-3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazin-2-amine (PubChem CID 59472065) has the molecular formula C15H11N7S and a molecular weight of 321.37 g/mol. Its IUPAC name is 5-pyridin-3-yl-3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-pyridin-3-yl-3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazin-2-amine
PubChem CID59472065
Molecular FormulaC15H11N7S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC Name5-pyridin-3-yl-3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazin-2-amine
SMILESNc1ncc(-c2cccnc2)nc1-c1n[nH]c(-c2cccs2)n1
InChIInChI=1S/C15H11N7S/c16-13-12(15-20-14(21-22-15)11-4-2-6-23-11)19-10(8-18-13)9-3-1-5-17-7-9/h1-8H,(H2,16,18)(H,20,21,22)
InChIKeySMOZJQGWBZCYSO-UHFFFAOYSA-N
XLogP2.63
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-pyridin-3-yl-3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazin-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 5-pyridin-3-yl-3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazin-2-amine?
The IUPAC name of 5-pyridin-3-yl-3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazin-2-amine (CID 59472065) is 5-pyridin-3-yl-3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazin-2-amine.
What is the SMILES notation for 5-pyridin-3-yl-3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazin-2-amine?
The canonical SMILES for 5-pyridin-3-yl-3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazin-2-amine is Nc1ncc(-c2cccnc2)nc1-c1n[nH]c(-c2cccs2)n1.
What is the InChIKey of 5-pyridin-3-yl-3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazin-2-amine?
The InChIKey is SMOZJQGWBZCYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N7S/c16-13-12(15-20-14(21-22-15)11-4-2-6-23-11)19-10(8-18-13)9-3-1-5-17-7-9/h1-8H,(H2,16,18)(H,20,21,22).
What are the key properties of 5-pyridin-3-yl-3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazin-2-amine?
5-pyridin-3-yl-3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazin-2-amine has a molecular weight of 321.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 59472065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).