5-cyclohex-3-en-1-yl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole

C17H25N3 — CID 131917010

IUPAC5-cyclohex-3-en-1-yl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole
SMILESC1=CCC(c2nc(C3CC3)nn2C2CCCCC2)CC1
InChIInChI=1S/C17H25N3/c1-3-7-14(8-4-1)17-18-16(13-11-12-13)19-20(17)15-9-5-2-6-10-15/h1,3,13-15H,2,4-12H2
InChIKeyPTVVYOJUVVCDMC-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.48
Rot. Bonds3

About 5-cyclohex-3-en-1-yl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole

5-cyclohex-3-en-1-yl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole (PubChem CID 131917010) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 5-cyclohex-3-en-1-yl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclohex-3-en-1-yl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole
PubChem CID131917010
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name5-cyclohex-3-en-1-yl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole
SMILESC1=CCC(c2nc(C3CC3)nn2C2CCCCC2)CC1
InChIInChI=1S/C17H25N3/c1-3-7-14(8-4-1)17-18-16(13-11-12-13)19-20(17)15-9-5-2-6-10-15/h1,3,13-15H,2,4-12H2
InChIKeyPTVVYOJUVVCDMC-UHFFFAOYSA-N
XLogP4.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(1S)-cyclohex-3-en-1-yl]-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole
CID 129615629
(6R)-2-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2-azaspiro[5.5]undec-9-ene
CID 164629944
(5S,7S)-5-cyclohexa-2,4-dien-1-yl-2-[(S)-cyclopropyl(fluoro)methyl]-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 167297273
2-[3-(2-Methylpropyl)-5-[2-(2,3,5-trimethyl-3,4-dihydropyrazol-4-yl)ethyl]-1,2,4-triazol-1-yl]-2,3-dihydropyridine
CID 68030237
1-(4-Chloro-5,6-dimethylcyclohexa-2,4-dien-1-yl)-5-hexan-3-yl-3-methyl-1,2,4-triazole
CID 123762136
1-(2-Bicyclo[4.1.0]hept-4-enylmethyl)-5-methyl-1,2,4-triazole
CID 163996097
4-(5-Cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
CID 115277807
4-(5-Cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
CID 115277811
1-{3-[(E)-2-cyclohexylvinyl]-1-methyl-1H-1,2,4-triazol-5-yl}piperidine
CID 121497083
2-(5-Cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2-azaspiro[5.5]undec-9-ene
CID 128274666
5-[(1R)-cyclohex-3-en-1-yl]-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole
CID 129615628
1-(3,3-Dimethylbutyl)-5-methyl-3-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1,2,4-triazole
CID 143912395

Frequently Asked Questions

What is the IUPAC name of 5-cyclohex-3-en-1-yl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole?
The IUPAC name of 5-cyclohex-3-en-1-yl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole (CID 131917010) is 5-cyclohex-3-en-1-yl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole.
What is the SMILES notation for 5-cyclohex-3-en-1-yl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole?
The canonical SMILES for 5-cyclohex-3-en-1-yl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole is C1=CCC(c2nc(C3CC3)nn2C2CCCCC2)CC1.
What is the InChIKey of 5-cyclohex-3-en-1-yl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole?
The InChIKey is PTVVYOJUVVCDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-7-14(8-4-1)17-18-16(13-11-12-13)19-20(17)15-9-5-2-6-10-15/h1,3,13-15H,2,4-12H2.
What are the key properties of 5-cyclohex-3-en-1-yl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole?
5-cyclohex-3-en-1-yl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole has a molecular weight of 271.41 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-3-en-1-yl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole is sourced from PubChem (CID 131917010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).