N-cyclohexyl-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide

C16H19FN4O — CID 53332665

IUPACN-cyclohexyl-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
SMILESCc1cc(-n2cc(C(=O)NC3CCCCC3)nn2)ccc1F
InChIInChI=1S/C16H19FN4O/c1-11-9-13(7-8-14(11)17)21-10-15(19-20-21)16(22)18-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,18,22)
InChIKeyOXNPKWQRVDHYPA-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.78
Rot. Bonds3

About N-cyclohexyl-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide

N-cyclohexyl-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide (PubChem CID 53332665) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
PubChem CID53332665
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC NameN-cyclohexyl-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
SMILESCc1cc(-n2cc(C(=O)NC3CCCCC3)nn2)ccc1F
InChIInChI=1S/C16H19FN4O/c1-11-9-13(7-8-14(11)17)21-10-15(19-20-21)16(22)18-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,18,22)
InChIKeyOXNPKWQRVDHYPA-UHFFFAOYSA-N
XLogP2.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
CID 53332712
1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 53332669
1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119387980
N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide
CID 68514420
N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
CID 53332680
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
CID 95183296
5-amino-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)triazole-4-carboxamide
CID 6498309
N-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide
CID 104927751
N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46858317
cis-(1S,3R)-3-[[1-(3-methylphenyl)triazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674914
N-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide
CID 53332635
4-[(1-phenyltriazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230187

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide (CID 53332665) is N-cyclohexyl-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide is Cc1cc(-n2cc(C(=O)NC3CCCCC3)nn2)ccc1F.
What is the InChIKey of N-cyclohexyl-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide?
The InChIKey is OXNPKWQRVDHYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-11-9-13(7-8-14(11)17)21-10-15(19-20-21)16(22)18-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,18,22).
What are the key properties of N-cyclohexyl-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide?
N-cyclohexyl-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 53332665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).