N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide

C19H26N4O — CID 46858317

IUPACN-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)NC3CCCCCC3)c2C)cc1C
InChIInChI=1S/C19H26N4O/c1-13-10-11-17(12-14(13)2)23-15(3)18(21-22-23)19(24)20-16-8-6-4-5-7-9-16/h10-12,16H,4-9H2,1-3H3,(H,20,24)
InChIKeyWVCXPUODQZIWLG-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.65
Rot. Bonds3

About N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide

N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 46858317) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID46858317
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)NC3CCCCCC3)c2C)cc1C
InChIInChI=1S/C19H26N4O/c1-13-10-11-17(12-14(13)2)23-15(3)18(21-22-23)19(24)20-16-8-6-4-5-7-9-16/h10-12,16H,4-9H2,1-3H3,(H,20,24)
InChIKeyWVCXPUODQZIWLG-UHFFFAOYSA-N
XLogP3.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 112846042
1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide
CID 44782567
5-amino-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)triazole-4-carboxamide
CID 6498309
1-(5-chloro-2-methoxyphenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide
CID 46857957
1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-N-cyclohexyl-5-methyltriazole-4-carboxamide
CID 17015379
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119424625
5-methyl-1-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)triazole-4-carboxamide
CID 55872567
1-(3,4-dimethylphenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide
CID 16648808
1-(3,4-dimethylphenyl)-5-methyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
CID 9151795
5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 4102161
1-(3,4-dimethylphenyl)-N-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858321
N-[2-(cycloheptylamino)ethyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide
CID 119619674

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide (CID 46858317) is N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide is Cc1ccc(-n2nnc(C(=O)NC3CCCCCC3)c2C)cc1C.
What is the InChIKey of N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is WVCXPUODQZIWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13-10-11-17(12-14(13)2)23-15(3)18(21-22-23)19(24)20-16-8-6-4-5-7-9-16/h10-12,16H,4-9H2,1-3H3,(H,20,24).
What are the key properties of N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 46858317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).