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

C8H11ClN4O — CID 106444127

IUPACN-(2-chlorocyclopentyl)-2H-triazole-4-carboxamide
SMILESO=C(NC1CCCC1Cl)c1cn[nH]n1
InChIInChI=1S/C8H11ClN4O/c9-5-2-1-3-6(5)11-8(14)7-4-10-13-12-7/h4-6H,1-3H2,(H,11,14)(H,10,12,13)
InChIKeyVQDCIEXUGAHQBH-UHFFFAOYSA-N
MW214.66 g/mol
LogP0.69
Rot. Bonds2

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

N-(2-chlorocyclopentyl)-2H-triazole-4-carboxamide (PubChem CID 106444127) has the molecular formula C8H11ClN4O and a molecular weight of 214.66 g/mol. Its IUPAC name is N-(2-chlorocyclopentyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclopentyl)-2H-triazole-4-carboxamide
PubChem CID106444127
Molecular FormulaC8H11ClN4O
Molecular Weight214.66 g/mol
Exact Mass214.06
IUPAC NameN-(2-chlorocyclopentyl)-2H-triazole-4-carboxamide
SMILESO=C(NC1CCCC1Cl)c1cn[nH]n1
InChIInChI=1S/C8H11ClN4O/c9-5-2-1-3-6(5)11-8(14)7-4-10-13-12-7/h4-6H,1-3H2,(H,11,14)(H,10,12,13)
InChIKeyVQDCIEXUGAHQBH-UHFFFAOYSA-N
XLogP0.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide
CID 104927988
N-(4-chlorooxolan-3-yl)-2H-triazole-4-carboxamide
CID 127002033
N-(2-cyclopropyloxolan-3-yl)-2H-triazole-4-carboxamide
CID 103865049
N-[3-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide
CID 113226189
N-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide
CID 106443960
4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63283411
5-bromo-N-(2-chlorocycloheptyl)pyridine-2-carboxamide
CID 113395079
N-(2-phenylcyclopropyl)-2H-triazole-4-carboxamide
CID 47403665
N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733318
N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733345
2H-triazole-4-carbohydrazide
CID 50989778
N-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 125159540

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclopentyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(2-chlorocyclopentyl)-2H-triazole-4-carboxamide (CID 106444127) is N-(2-chlorocyclopentyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorocyclopentyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2-chlorocyclopentyl)-2H-triazole-4-carboxamide is O=C(NC1CCCC1Cl)c1cn[nH]n1.
What is the InChIKey of N-(2-chlorocyclopentyl)-2H-triazole-4-carboxamide?
The InChIKey is VQDCIEXUGAHQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O/c9-5-2-1-3-6(5)11-8(14)7-4-10-13-12-7/h4-6H,1-3H2,(H,11,14)(H,10,12,13).
What are the key properties of N-(2-chlorocyclopentyl)-2H-triazole-4-carboxamide?
N-(2-chlorocyclopentyl)-2H-triazole-4-carboxamide has a molecular weight of 214.66 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclopentyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 106444127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).