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

C16H20FN5O — CID 6498309

IUPAC5-amino-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)NC3CCCCC3)c2N)cc1F
InChIInChI=1S/C16H20FN5O/c1-10-7-8-12(9-13(10)17)22-15(18)14(20-21-22)16(23)19-11-5-3-2-4-6-11/h7-9,11H,2-6,18H2,1H3,(H,19,23)
InChIKeyLGNKPVZYTPBDOI-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.36
Rot. Bonds3

About 5-amino-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)triazole-4-carboxamide

5-amino-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)triazole-4-carboxamide (PubChem CID 6498309) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 5-amino-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)triazole-4-carboxamide
PubChem CID6498309
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name5-amino-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)NC3CCCCC3)c2N)cc1F
InChIInChI=1S/C16H20FN5O/c1-10-7-8-12(9-13(10)17)22-15(18)14(20-21-22)16(23)19-11-5-3-2-4-6-11/h7-9,11H,2-6,18H2,1H3,(H,19,23)
InChIKeyLGNKPVZYTPBDOI-UHFFFAOYSA-N
XLogP2.36
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 4102161
5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide
CID 6498258
5-amino-N-cyclohexyl-1-phenyltriazole-4-carboxamide
CID 6498288
N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46858317
1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide
CID 44782567
5-amino-1-(3-chloro-4-methylphenyl)-N-methyltriazole-4-carboxamide
CID 6498307
1-[1-(3-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]ethanone
CID 43671075
N-cyclohexyl-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
CID 53332665
1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-N-cyclohexyl-5-methyltriazole-4-carboxamide
CID 17015379
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 112846042
1-(3-fluoro-4-methylphenyl)-N-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
CID 7246369
N-(3,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxamide
CID 7246289

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)triazole-4-carboxamide (CID 6498309) is 5-amino-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)triazole-4-carboxamide is Cc1ccc(-n2nnc(C(=O)NC3CCCCC3)c2N)cc1F.
What is the InChIKey of 5-amino-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)triazole-4-carboxamide?
The InChIKey is LGNKPVZYTPBDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c1-10-7-8-12(9-13(10)17)22-15(18)14(20-21-22)16(23)19-11-5-3-2-4-6-11/h7-9,11H,2-6,18H2,1H3,(H,19,23).
What are the key properties of 5-amino-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)triazole-4-carboxamide?
5-amino-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)triazole-4-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 6498309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).