1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide

C20H28N4O — CID 43060445

IUPAC1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide
SMILESCC(C)(C)C1CCCCC1NC(=O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C20H28N4O/c1-20(2,3)16-11-7-8-12-17(16)21-19(25)18-14-24(23-22-18)13-15-9-5-4-6-10-15/h4-6,9-10,14,16-17H,7-8,11-13H2,1-3H3,(H,21,25)
InChIKeyDOOMXNHOHUOPAC-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.66
Rot. Bonds4

About 1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide

1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide (PubChem CID 43060445) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide
PubChem CID43060445
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide
SMILESCC(C)(C)C1CCCCC1NC(=O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C20H28N4O/c1-20(2,3)16-11-7-8-12-17(16)21-19(25)18-14-24(23-22-18)13-15-9-5-4-6-10-15/h4-6,9-10,14,16-17H,7-8,11-13H2,1-3H3,(H,21,25)
InChIKeyDOOMXNHOHUOPAC-UHFFFAOYSA-N
XLogP3.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119610471
N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyltriazole-4-carboxamide
CID 119574287
(1-benzyltriazol-4-yl)-cyclohexylmethanone
CID 71763813
1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide
CID 36706465
(1S,2S,3S,4S)-3-[(1-benzyltriazole-4-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98233009
1-benzyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)triazole-4-carboxamide
CID 111658731
1-benzyl-N-methyl-N-(2-methylcyclohexyl)triazole-4-carboxamide
CID 134020397
1-benzyltriazole-4-carbonyl chloride
CID 87720228
N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide
CID 35052567
1-benzyl-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]triazole-4-carboxamide
CID 97100576
N-[2-(aminomethyl)cyclopentyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide;dihydrochloride
CID 119604139
N-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide
CID 104927751

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide (CID 43060445) is 1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide is CC(C)(C)C1CCCCC1NC(=O)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide?
The InChIKey is DOOMXNHOHUOPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-20(2,3)16-11-7-8-12-17(16)21-19(25)18-14-24(23-22-18)13-15-9-5-4-6-10-15/h4-6,9-10,14,16-17H,7-8,11-13H2,1-3H3,(H,21,25).
What are the key properties of 1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide?
1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide is sourced from PubChem (CID 43060445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).