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

C13H11N7O — CID 119105033

IUPACN-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)c1cnccn1
InChIInChI=1S/C13H11N7O/c21-13(12-8-15-5-6-16-12)17-7-10-9-20(19-18-10)11-1-3-14-4-2-11/h1-6,8-9H,7H2,(H,17,21)
InChIKeyBZBZVJQTHCIWLP-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.38
Rot. Bonds4

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

N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide (PubChem CID 119105033) has the molecular formula C13H11N7O and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide
PubChem CID119105033
Molecular FormulaC13H11N7O
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC NameN-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)c1cnccn1
InChIInChI=1S/C13H11N7O/c21-13(12-8-15-5-6-16-12)17-7-10-9-20(19-18-10)11-1-3-14-4-2-11/h1-6,8-9H,7H2,(H,17,21)
InChIKeyBZBZVJQTHCIWLP-UHFFFAOYSA-N
XLogP0.38
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide
CID 121195802
N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoline-2-carboxamide
CID 121195947
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 121195997
4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195951
4-methyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 121196000
2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide
CID 121195982
4-(dimethylamino)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195791
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide
CID 121195848
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 121196018
4-propyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 121022269
N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopentanecarboxamide
CID 121195905
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121195973

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide (CID 119105033) is N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide is O=C(NCc1cn(-c2ccncc2)nn1)c1cnccn1.
What is the InChIKey of N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is BZBZVJQTHCIWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O/c21-13(12-8-15-5-6-16-12)17-7-10-9-20(19-18-10)11-1-3-14-4-2-11/h1-6,8-9H,7H2,(H,17,21).
What are the key properties of N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide?
N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 281.28 g/mol, XLogP of 0.38, 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]pyrazine-2-carboxamide is sourced from PubChem (CID 119105033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).