N-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide

C13H12N6O — CID 110471590

IUPACN-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)nn1
InChIInChI=1S/C13H12N6O/c1-19-8-11(17-18-19)13(20)16-10-4-2-9(3-5-10)12-14-6-7-15-12/h2-8H,1H3,(H,14,15)(H,16,20)
InChIKeyHHLDGFDCNGCEDJ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.46
Rot. Bonds3

About N-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide

N-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide (PubChem CID 110471590) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is N-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide
PubChem CID110471590
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC NameN-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)nn1
InChIInChI=1S/C13H12N6O/c1-19-8-11(17-18-19)13(20)16-10-4-2-9(3-5-10)12-14-6-7-15-12/h2-8H,1H3,(H,14,15)(H,16,20)
InChIKeyHHLDGFDCNGCEDJ-UHFFFAOYSA-N
XLogP1.46
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide
CID 136716966
N-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide
CID 110439460
N-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide
CID 110726514
2-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]benzoic acid
CID 90451425
2-[4-[(1-methyltriazole-4-carbonyl)amino]phenyl]acetic acid
CID 110461928
N-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide
CID 110471581
1-methyl-N-[4-(2-methylpropoxy)phenyl]triazole-4-carboxamide
CID 110439456
(E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide
CID 110470252
N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide
CID 60613262
(2R)-N-[4-(1H-imidazol-2-yl)phenyl]-2-methylbutanamide
CID 95687743
1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide
CID 122290639
N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 126766931

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide (CID 110471590) is N-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)nn1.
What is the InChIKey of N-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide?
The InChIKey is HHLDGFDCNGCEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-19-8-11(17-18-19)13(20)16-10-4-2-9(3-5-10)12-14-6-7-15-12/h2-8H,1H3,(H,14,15)(H,16,20).
What are the key properties of N-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide?
N-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 110471590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).