N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide

C13H11N7O — CID 46958766

IUPACN-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1nc(-c2cccnc2)n[nH]1)c1cnccn1
InChIInChI=1S/C13H11N7O/c21-13(10-7-15-4-5-16-10)17-8-11-18-12(20-19-11)9-2-1-3-14-6-9/h1-7H,8H2,(H,17,21)(H,18,19,20)
InChIKeyJPOYTNWZCZEWRZ-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.59
Rot. Bonds4

About N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide

N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide (PubChem CID 46958766) has the molecular formula C13H11N7O and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide
PubChem CID46958766
Molecular FormulaC13H11N7O
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC NameN-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1nc(-c2cccnc2)n[nH]1)c1cnccn1
InChIInChI=1S/C13H11N7O/c21-13(10-7-15-4-5-16-10)17-8-11-18-12(20-19-11)9-2-1-3-14-6-9/h1-7H,8H2,(H,17,21)(H,18,19,20)
InChIKeyJPOYTNWZCZEWRZ-UHFFFAOYSA-N
XLogP0.59
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide 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 N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide (CID 46958766) is N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide is O=C(NCc1nc(-c2cccnc2)n[nH]1)c1cnccn1.
What is the InChIKey of N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is JPOYTNWZCZEWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O/c21-13(10-7-15-4-5-16-10)17-8-11-18-12(20-19-11)9-2-1-3-14-6-9/h1-7H,8H2,(H,17,21)(H,18,19,20).
What are the key properties of N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide?
N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 281.28 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 46958766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).