N-(4-butylphenyl)-1-phenyltriazole-4-carboxamide

C19H20N4O — CID 46686096

IUPACN-(4-butylphenyl)-1-phenyltriazole-4-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cn(-c3ccccc3)nn2)cc1
InChIInChI=1S/C19H20N4O/c1-2-3-7-15-10-12-16(13-11-15)20-19(24)18-14-23(22-21-18)17-8-5-4-6-9-17/h4-6,8-14H,2-3,7H2,1H3,(H,20,24)
InChIKeyFXVYHNISMAFRFS-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.86
Rot. Bonds6

About N-(4-butylphenyl)-1-phenyltriazole-4-carboxamide

N-(4-butylphenyl)-1-phenyltriazole-4-carboxamide (PubChem CID 46686096) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(4-butylphenyl)-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-1-phenyltriazole-4-carboxamide
PubChem CID46686096
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-(4-butylphenyl)-1-phenyltriazole-4-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cn(-c3ccccc3)nn2)cc1
InChIInChI=1S/C19H20N4O/c1-2-3-7-15-10-12-16(13-11-15)20-19(24)18-14-23(22-21-18)17-8-5-4-6-9-17/h4-6,8-14H,2-3,7H2,1H3,(H,20,24)
InChIKeyFXVYHNISMAFRFS-UHFFFAOYSA-N
XLogP3.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-1-phenyltriazole-4-carboxamide
CID 39087725
1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea
CID 153390159
N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-phenyltriazole-4-carboxamide
CID 87028248
1-(4-hexylphenyl)triazole-4-carboxamide
CID 121373598
1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide
CID 43429821
5-[(4-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684737
3-[(1-phenyltriazole-4-carbonyl)amino]benzoic acid
CID 71942422
1-(4-butylphenyl)-3-(1-phenylimidazol-4-yl)urea
CID 153390069
N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119769374
2-[1-(4-butylphenyl)triazol-4-yl]acetic acid
CID 112519149
1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide
CID 107495955
N-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-1-phenyltriazole-4-carboxamide
CID 51593261

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-(4-butylphenyl)-1-phenyltriazole-4-carboxamide (CID 46686096) is N-(4-butylphenyl)-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-1-phenyltriazole-4-carboxamide is CCCCc1ccc(NC(=O)c2cn(-c3ccccc3)nn2)cc1.
What is the InChIKey of N-(4-butylphenyl)-1-phenyltriazole-4-carboxamide?
The InChIKey is FXVYHNISMAFRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-3-7-15-10-12-16(13-11-15)20-19(24)18-14-23(22-21-18)17-8-5-4-6-9-17/h4-6,8-14H,2-3,7H2,1H3,(H,20,24).
What are the key properties of N-(4-butylphenyl)-1-phenyltriazole-4-carboxamide?
N-(4-butylphenyl)-1-phenyltriazole-4-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 46686096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).