N-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C9H6N6O — CID 79194159

IUPACN-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESN#CNC(=O)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C9H6N6O/c10-4-13-9(16)7-1-2-8(12-3-7)15-6-11-5-14-15/h1-3,5-6H,(H,13,16)
InChIKeyUEMLZMMIQAFPJM-UHFFFAOYSA-N
MW214.19 g/mol
LogP-0.13
Rot. Bonds2

About N-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

N-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 79194159) has the molecular formula C9H6N6O and a molecular weight of 214.19 g/mol. Its IUPAC name is N-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID79194159
Molecular FormulaC9H6N6O
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC NameN-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESN#CNC(=O)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C9H6N6O/c10-4-13-9(16)7-1-2-8(12-3-7)15-6-11-5-14-15/h1-3,5-6H,(H,13,16)
InChIKeyUEMLZMMIQAFPJM-UHFFFAOYSA-N
XLogP-0.13
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43416525
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 107847089
N-[2-(ethylamino)ethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 119507752
N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43429763
6-(1,2,4-triazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103725935
N-[1-(aminomethyl)cyclopentyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 119567147
6-(1,2,4-triazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 60982812
N-(1-hydroxy-2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 64555973
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 112809661
N-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 106385679
6-(1,2,4-triazol-1-yl)pyridine-3-carbothioamide
CID 2746789
N-(2-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 120577471

Frequently Asked Questions

What is the IUPAC name of N-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 79194159) is N-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is N#CNC(=O)c1ccc(-n2cncn2)nc1.
What is the InChIKey of N-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is UEMLZMMIQAFPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N6O/c10-4-13-9(16)7-1-2-8(12-3-7)15-6-11-5-14-15/h1-3,5-6H,(H,13,16).
What are the key properties of N-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
N-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 214.19 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 79194159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).