N-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide

C14H18N4O — CID 110439460

IUPACN-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C14H18N4O/c1-14(2,3)10-5-7-11(8-6-10)15-13(19)12-9-18(4)17-16-12/h5-9H,1-4H3,(H,15,19)
InChIKeyYIFUOOWKFUACJR-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.36
Rot. Bonds2

About N-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide

N-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide (PubChem CID 110439460) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide
PubChem CID110439460
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C14H18N4O/c1-14(2,3)10-5-7-11(8-6-10)15-13(19)12-9-18(4)17-16-12/h5-9H,1-4H3,(H,15,19)
InChIKeyYIFUOOWKFUACJR-UHFFFAOYSA-N
XLogP2.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide
CID 136716966
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
N-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide
CID 110471590
1-methyl-N-(3-methylsulfonylphenyl)triazole-4-carboxamide
CID 110461981
6-amino-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 62239244
N-(4-tert-butylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62239245
N-(4-hydroxy-2-methylphenyl)-1-methyltriazole-4-carboxamide
CID 136716967
1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide
CID 110471540
5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684723
1-methyl-N-(3-pyrimidin-5-ylphenyl)triazole-4-carboxamide
CID 110461980

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide (CID 110439460) is N-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)nn1.
What is the InChIKey of N-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide?
The InChIKey is YIFUOOWKFUACJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(2,3)10-5-7-11(8-6-10)15-13(19)12-9-18(4)17-16-12/h5-9H,1-4H3,(H,15,19).
What are the key properties of N-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide?
N-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 110439460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).