[5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-cyclopentylmethanone

C15H16ClN3O2 — CID 42727524

IUPAC[5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-cyclopentylmethanone
SMILESCOc1nc(-c2ccccc2Cl)n(C(=O)C2CCCC2)n1
InChIInChI=1S/C15H16ClN3O2/c1-21-15-17-13(11-8-4-5-9-12(11)16)19(18-15)14(20)10-6-2-3-7-10/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyRKQZWGDBNFJHFR-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.44
Rot. Bonds3

About [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-cyclopentylmethanone

[5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-cyclopentylmethanone (PubChem CID 42727524) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-cyclopentylmethanone
PubChem CID42727524
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name[5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-cyclopentylmethanone
SMILESCOc1nc(-c2ccccc2Cl)n(C(=O)C2CCCC2)n1
InChIInChI=1S/C15H16ClN3O2/c1-21-15-17-13(11-8-4-5-9-12(11)16)19(18-15)14(20)10-6-2-3-7-10/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyRKQZWGDBNFJHFR-UHFFFAOYSA-N
XLogP3.44
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone
CID 1061681
methyl 3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117250020
(2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone
CID 42727132
(2-chlorophenyl)-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone
CID 42729510
[5-(2-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-(3-methoxyphenyl)methanone
CID 770874
5,7-dichloro-6-(2-chlorophenyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 104616040
2-[[5-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 26916451
cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096536
2-(2-chlorophenyl)-N-(cyclopropylmethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 70783723
ethyl 2-[3-(2-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]acetate
CID 58012024
methyl 2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate
CID 117128251
5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)-1-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide
CID 3834283

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-cyclopentylmethanone?
The IUPAC name of [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-cyclopentylmethanone (CID 42727524) is [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-cyclopentylmethanone?
The canonical SMILES for [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-cyclopentylmethanone is COc1nc(-c2ccccc2Cl)n(C(=O)C2CCCC2)n1.
What is the InChIKey of [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-cyclopentylmethanone?
The InChIKey is RKQZWGDBNFJHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-21-15-17-13(11-8-4-5-9-12(11)16)19(18-15)14(20)10-6-2-3-7-10/h4-5,8-10H,2-3,6-7H2,1H3.
What are the key properties of [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-cyclopentylmethanone?
[5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-cyclopentylmethanone has a molecular weight of 305.76 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 42727524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).