N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide

C15H18N4O — CID 112733345

IUPACN-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide
SMILESO=C(NC1CCC(c2ccccc2)CC1)c1cn[nH]n1
InChIInChI=1S/C15H18N4O/c20-15(14-10-16-19-18-14)17-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2,(H,17,20)(H,16,18,19)
InChIKeyBGBBTLCTKXRQSC-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.26
Rot. Bonds3

About N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide

N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide (PubChem CID 112733345) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide
PubChem CID112733345
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide
SMILESO=C(NC1CCC(c2ccccc2)CC1)c1cn[nH]n1
InChIInChI=1S/C15H18N4O/c20-15(14-10-16-19-18-14)17-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2,(H,17,20)(H,16,18,19)
InChIKeyBGBBTLCTKXRQSC-UHFFFAOYSA-N
XLogP2.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63283411
N-(2-phenylcyclopropyl)-2H-triazole-4-carboxamide
CID 47403665
N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733318
N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 112731973
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide
CID 112733260
N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 112733890
N-benzyl-2H-triazole-4-carboxamide
CID 47334751
1-(2-hydroxyethyl)-3-(4-phenylcyclohexyl)urea
CID 110894206
N-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide
CID 78918284
N-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 106995382
3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide
CID 86730086
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 74244989

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide (CID 112733345) is N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide is O=C(NC1CCC(c2ccccc2)CC1)c1cn[nH]n1.
What is the InChIKey of N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide?
The InChIKey is BGBBTLCTKXRQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(14-10-16-19-18-14)17-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2,(H,17,20)(H,16,18,19).
What are the key properties of N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide?
N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 112733345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).