1-cyclopentyl-3-cyclopropyl-5-(4-methoxyphenyl)-1,2,4-triazole

C17H21N3O — CID 146145839

IUPAC1-cyclopentyl-3-cyclopropyl-5-(4-methoxyphenyl)-1,2,4-triazole
SMILESCOc1ccc(-c2nc(C3CC3)nn2C2CCCC2)cc1
InChIInChI=1S/C17H21N3O/c1-21-15-10-8-13(9-11-15)17-18-16(12-6-7-12)19-20(17)14-4-2-3-5-14/h8-12,14H,2-7H2,1H3
InChIKeyWQABSEZUJXSTJX-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.95
Rot. Bonds4

About 1-cyclopentyl-3-cyclopropyl-5-(4-methoxyphenyl)-1,2,4-triazole

1-cyclopentyl-3-cyclopropyl-5-(4-methoxyphenyl)-1,2,4-triazole (PubChem CID 146145839) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-cyclopropyl-5-(4-methoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-cyclopentyl-3-cyclopropyl-5-(4-methoxyphenyl)-1,2,4-triazole
PubChem CID146145839
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-cyclopentyl-3-cyclopropyl-5-(4-methoxyphenyl)-1,2,4-triazole
SMILESCOc1ccc(-c2nc(C3CC3)nn2C2CCCC2)cc1
InChIInChI=1S/C17H21N3O/c1-21-15-10-8-13(9-11-15)17-18-16(12-6-7-12)19-20(17)14-4-2-3-5-14/h8-12,14H,2-7H2,1H3
InChIKeyWQABSEZUJXSTJX-UHFFFAOYSA-N
XLogP3.95
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazole
CID 167810339
3-[1-cyclopentyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine
CID 146145846
1-cyclopentyl-4-ethyl-3,5-bis(4-methoxyphenyl)pyrazole
CID 19587444
4-bromo-1-cyclobutyl-3,5-bis(4-methoxyphenyl)pyrazole
CID 22725477
4-cyclohexyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole
CID 78762729
1-cyclopentyl-7-fluoro-3-(4-methoxyphenyl)indazole
CID 68884306
4-cyclopentyl-6-(4-methoxyphenyl)-1,3,5-triazin-2-amine
CID 63867774
6-cyclohexyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 932850
1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743142
4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenol
CID 153483568
(4aR,8aR)-1-(4-methoxyphenyl)-2-methyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole
CID 9420303
8-(4-methoxyphenyl)-2,3,4,6,9,9a-hexahydro-1H-quinolizine
CID 102218112

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-cyclopropyl-5-(4-methoxyphenyl)-1,2,4-triazole?
The IUPAC name of 1-cyclopentyl-3-cyclopropyl-5-(4-methoxyphenyl)-1,2,4-triazole (CID 146145839) is 1-cyclopentyl-3-cyclopropyl-5-(4-methoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-cyclopentyl-3-cyclopropyl-5-(4-methoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 1-cyclopentyl-3-cyclopropyl-5-(4-methoxyphenyl)-1,2,4-triazole is COc1ccc(-c2nc(C3CC3)nn2C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-cyclopropyl-5-(4-methoxyphenyl)-1,2,4-triazole?
The InChIKey is WQABSEZUJXSTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-21-15-10-8-13(9-11-15)17-18-16(12-6-7-12)19-20(17)14-4-2-3-5-14/h8-12,14H,2-7H2,1H3.
What are the key properties of 1-cyclopentyl-3-cyclopropyl-5-(4-methoxyphenyl)-1,2,4-triazole?
1-cyclopentyl-3-cyclopropyl-5-(4-methoxyphenyl)-1,2,4-triazole has a molecular weight of 283.38 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-cyclopropyl-5-(4-methoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 146145839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).