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

C12H12N6O — CID 64511384

IUPAC5-cyano-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
SMILESCc1nc(CN(C)C(=O)c2ccc(C#N)cn2)n[nH]1
InChIInChI=1S/C12H12N6O/c1-8-15-11(17-16-8)7-18(2)12(19)10-4-3-9(5-13)6-14-10/h3-4,6H,7H2,1-2H3,(H,15,16,17)
InChIKeyWNWWZTYMSAKEDG-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.65
Rot. Bonds3

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

5-cyano-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 64511384) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 5-cyano-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
PubChem CID64511384
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name5-cyano-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
SMILESCc1nc(CN(C)C(=O)c2ccc(C#N)cn2)n[nH]1
InChIInChI=1S/C12H12N6O/c1-8-15-11(17-16-8)7-18(2)12(19)10-4-3-9(5-13)6-14-10/h3-4,6H,7H2,1-2H3,(H,15,16,17)
InChIKeyWNWWZTYMSAKEDG-UHFFFAOYSA-N
XLogP0.65
TPSA98.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide (CID 64511384) is 5-cyano-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide is Cc1nc(CN(C)C(=O)c2ccc(C#N)cn2)n[nH]1.
What is the InChIKey of 5-cyano-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is WNWWZTYMSAKEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-8-15-11(17-16-8)7-18(2)12(19)10-4-3-9(5-13)6-14-10/h3-4,6H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 5-cyano-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide?
5-cyano-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 256.27 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 64511384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).