2-chloro-N-[(1-cyclopentyltriazol-4-yl)methyl]acetamide

C10H15ClN4O — CID 166430643

IUPAC2-chloro-N-[(1-cyclopentyltriazol-4-yl)methyl]acetamide
SMILESO=C(CCl)NCc1cn(C2CCCC2)nn1
InChIInChI=1S/C10H15ClN4O/c11-5-10(16)12-6-8-7-15(14-13-8)9-3-1-2-4-9/h7,9H,1-6H2,(H,12,16)
InChIKeyWFZXSSOCKGCGAV-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.25
Rot. Bonds4

About 2-chloro-N-[(1-cyclopentyltriazol-4-yl)methyl]acetamide

2-chloro-N-[(1-cyclopentyltriazol-4-yl)methyl]acetamide (PubChem CID 166430643) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-chloro-N-[(1-cyclopentyltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(1-cyclopentyltriazol-4-yl)methyl]acetamide
PubChem CID166430643
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name2-chloro-N-[(1-cyclopentyltriazol-4-yl)methyl]acetamide
SMILESO=C(CCl)NCc1cn(C2CCCC2)nn1
InChIInChI=1S/C10H15ClN4O/c11-5-10(16)12-6-8-7-15(14-13-8)9-3-1-2-4-9/h7,9H,1-6H2,(H,12,16)
InChIKeyWFZXSSOCKGCGAV-UHFFFAOYSA-N
XLogP1.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[[1-(oxan-4-yl)triazol-4-yl]methyl]acetamide
CID 114778318
N-[2-[(1-cyclobutyltriazol-4-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 126829428
N-[(1-cyclopentyltriazol-4-yl)methyl]cyclopropanamine
CID 66193785
2-amino-N-[[1-(4-ethylcyclohexyl)triazol-4-yl]methyl]acetamide
CID 114778694
N-[(1-tert-butyltriazol-4-yl)methyl]-2-chloroacetamide
CID 166418934
2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid
CID 116735154
[1-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]triazol-4-yl]methylurea
CID 29254255
4-(bromomethyl)-1-cycloheptyltriazole
CID 82930345
2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide
CID 114778703
(1-cyclobutyltriazol-4-yl)methanamine
CID 84649674
(1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride
CID 122156702
[1-[1-[1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-4-yl]triazol-4-yl]methylurea
CID 45245897

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-cyclopentyltriazol-4-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(1-cyclopentyltriazol-4-yl)methyl]acetamide (CID 166430643) is 2-chloro-N-[(1-cyclopentyltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(1-cyclopentyltriazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(1-cyclopentyltriazol-4-yl)methyl]acetamide is O=C(CCl)NCc1cn(C2CCCC2)nn1.
What is the InChIKey of 2-chloro-N-[(1-cyclopentyltriazol-4-yl)methyl]acetamide?
The InChIKey is WFZXSSOCKGCGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c11-5-10(16)12-6-8-7-15(14-13-8)9-3-1-2-4-9/h7,9H,1-6H2,(H,12,16).
What are the key properties of 2-chloro-N-[(1-cyclopentyltriazol-4-yl)methyl]acetamide?
2-chloro-N-[(1-cyclopentyltriazol-4-yl)methyl]acetamide has a molecular weight of 242.71 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-cyclopentyltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 166430643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).