N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide

C17H13N7O — CID 121195802

IUPACN-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)c1cnc2ccccc2n1
InChIInChI=1S/C17H13N7O/c25-17(16-10-19-14-3-1-2-4-15(14)21-16)20-9-12-11-24(23-22-12)13-5-7-18-8-6-13/h1-8,10-11H,9H2,(H,20,25)
InChIKeyANPPMVJKWGNQGU-UHFFFAOYSA-N
MW331.34 g/mol
LogP1.54
Rot. Bonds4

About N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide

N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide (PubChem CID 121195802) has the molecular formula C17H13N7O and a molecular weight of 331.34 g/mol. Its IUPAC name is N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide
PubChem CID121195802
Molecular FormulaC17H13N7O
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC NameN-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)c1cnc2ccccc2n1
InChIInChI=1S/C17H13N7O/c25-17(16-10-19-14-3-1-2-4-15(14)21-16)20-9-12-11-24(23-22-12)13-5-7-18-8-6-13/h1-8,10-11H,9H2,(H,20,25)
InChIKeyANPPMVJKWGNQGU-UHFFFAOYSA-N
XLogP1.54
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide (CID 121195802) is N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide is O=C(NCc1cn(-c2ccncc2)nn1)c1cnc2ccccc2n1.
What is the InChIKey of N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide?
The InChIKey is ANPPMVJKWGNQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O/c25-17(16-10-19-14-3-1-2-4-15(14)21-16)20-9-12-11-24(23-22-12)13-5-7-18-8-6-13/h1-8,10-11H,9H2,(H,20,25).
What are the key properties of N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide?
N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 121195802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).