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

C14H13N7O — CID 46958783

IUPAC5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)cn1
InChIInChI=1S/C14H13N7O/c1-9-6-17-11(7-16-9)14(22)18-8-12-19-13(21-20-12)10-2-4-15-5-3-10/h2-7H,8H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyWWJLSLLASSWLLE-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.90
Rot. Bonds4

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

5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide (PubChem CID 46958783) has the molecular formula C14H13N7O and a molecular weight of 295.31 g/mol. Its IUPAC name is 5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide
PubChem CID46958783
Molecular FormulaC14H13N7O
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)cn1
InChIInChI=1S/C14H13N7O/c1-9-6-17-11(7-16-9)14(22)18-8-12-19-13(21-20-12)10-2-4-15-5-3-10/h2-7H,8H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyWWJLSLLASSWLLE-UHFFFAOYSA-N
XLogP0.90
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 75508286
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CID 70788775
4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 82569633
5,6-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1H-pyridine-3-carboxamide
CID 70744904
N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide
CID 25106890
2-(3-methyl-1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 91760353
(5R)-3,5-dimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4H-1,2-oxazole-5-carboxamide
CID 124757478
tert-butyl N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate
CID 71124077
1-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]azepane-2-carboxamide
CID 72912956
5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazine-2-carboxamide
CID 47285811
N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 69317898
1-(4-aminocyclohexyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide (CID 46958783) is 5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)cn1.
What is the InChIKey of 5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is WWJLSLLASSWLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O/c1-9-6-17-11(7-16-9)14(22)18-8-12-19-13(21-20-12)10-2-4-15-5-3-10/h2-7H,8H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of 5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide?
5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 295.31 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 46958783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).