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

C12H11N7O — CID 134707369

IUPACN-(1-methylimidazol-2-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESCn1ccnc1NC(=O)c1cccc(-n2cnnc2)n1
InChIInChI=1S/C12H11N7O/c1-18-6-5-13-12(18)17-11(20)9-3-2-4-10(16-9)19-7-14-15-8-19/h2-8H,1H3,(H,13,17,20)
InChIKeyAWPNFZHLCCNRDB-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.65
Rot. Bonds3

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

N-(1-methylimidazol-2-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (PubChem CID 134707369) has the molecular formula C12H11N7O and a molecular weight of 269.27 g/mol. Its IUPAC name is N-(1-methylimidazol-2-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylimidazol-2-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
PubChem CID134707369
Molecular FormulaC12H11N7O
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC NameN-(1-methylimidazol-2-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESCn1ccnc1NC(=O)c1cccc(-n2cnnc2)n1
InChIInChI=1S/C12H11N7O/c1-18-6-5-13-12(18)17-11(20)9-3-2-4-10(16-9)19-7-14-15-8-19/h2-8H,1H3,(H,13,17,20)
InChIKeyAWPNFZHLCCNRDB-UHFFFAOYSA-N
XLogP0.65
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylimidazol-2-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-(1-methylimidazol-2-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (CID 134707369) is N-(1-methylimidazol-2-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-methylimidazol-2-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-methylimidazol-2-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is Cn1ccnc1NC(=O)c1cccc(-n2cnnc2)n1.
What is the InChIKey of N-(1-methylimidazol-2-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The InChIKey is AWPNFZHLCCNRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7O/c1-18-6-5-13-12(18)17-11(20)9-3-2-4-10(16-9)19-7-14-15-8-19/h2-8H,1H3,(H,13,17,20).
What are the key properties of N-(1-methylimidazol-2-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
N-(1-methylimidazol-2-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide has a molecular weight of 269.27 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylimidazol-2-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 134707369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).