N-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide

C13H12N6O — CID 110471581

IUPACN-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(-n3ccnc3)cc2)nn1
InChIInChI=1S/C13H12N6O/c1-18-8-12(16-17-18)13(20)15-10-2-4-11(5-3-10)19-7-6-14-9-19/h2-9H,1H3,(H,15,20)
InChIKeyHFQWGIZHBIBLGW-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.25
Rot. Bonds3

About N-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide

N-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide (PubChem CID 110471581) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide
PubChem CID110471581
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC NameN-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(-n3ccnc3)cc2)nn1
InChIInChI=1S/C13H12N6O/c1-18-8-12(16-17-18)13(20)15-10-2-4-11(5-3-10)19-7-6-14-9-19/h2-9H,1H3,(H,15,20)
InChIKeyHFQWGIZHBIBLGW-UHFFFAOYSA-N
XLogP1.25
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide
CID 136716966
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
N-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide
CID 110439460
N-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 86920859
2-[4-[(1-methyltriazole-4-carbonyl)amino]phenyl]acetic acid
CID 110461928
2-bromo-N-(4-imidazol-1-ylphenyl)benzamide
CID 37239314
1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea
CID 87013033
N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide
CID 37186383
N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide
CID 37239302
N-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide
CID 110471590
3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39035583
N-(4-imidazol-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87039583

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide?
The IUPAC name of N-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide (CID 110471581) is N-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc(-n3ccnc3)cc2)nn1.
What is the InChIKey of N-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide?
The InChIKey is HFQWGIZHBIBLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-18-8-12(16-17-18)13(20)15-10-2-4-11(5-3-10)19-7-6-14-9-19/h2-9H,1H3,(H,15,20).
What are the key properties of N-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide?
N-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 110471581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).