N-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide

C16H20N4O — CID 115880818

IUPACN-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide
SMILESCC1(C)CCC(NC(=O)c2cnn(-c3ccccc3)n2)C1
InChIInChI=1S/C16H20N4O/c1-16(2)9-8-12(10-16)18-15(21)14-11-17-20(19-14)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,18,21)
InChIKeyFUDYFLPFFKCLEX-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.58
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide

N-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide (PubChem CID 115880818) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide
PubChem CID115880818
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide
SMILESCC1(C)CCC(NC(=O)c2cnn(-c3ccccc3)n2)C1
InChIInChI=1S/C16H20N4O/c1-16(2)9-8-12(10-16)18-15(21)14-11-17-20(19-14)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,18,21)
InChIKeyFUDYFLPFFKCLEX-UHFFFAOYSA-N
XLogP2.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-piperidin-4-yltriazole-4-carboxamide
CID 43345759
N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide
CID 103885164
cis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120674958
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-phenyltriazole-4-carboxamide
CID 114630914
6-[(3,3-dimethylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
CID 114550590
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide
CID 98783355
N-(4-methylpiperidin-4-yl)-2-phenyltriazole-4-carboxamide
CID 114696468
N'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide
CID 51175047
N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-phenyltriazole-4-carboxamide
CID 91631721
3-ethoxy-2,2-dimethyl-1-[(2-phenyltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120700438
N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide
CID 126935905
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide
CID 18165130

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide (CID 115880818) is N-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide is CC1(C)CCC(NC(=O)c2cnn(-c3ccccc3)n2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide?
The InChIKey is FUDYFLPFFKCLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-16(2)9-8-12(10-16)18-15(21)14-11-17-20(19-14)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,18,21).
What are the key properties of N-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide?
N-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 115880818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).