3-[1-[(Z,2Z)-2-ethylidenehex-3-enyl]cyclopropyl]-4,5-dimethyl-1,2,4-triazole

C15H23N3 — CID 143046830

IUPAC3-[1-[(Z,2Z)-2-ethylidenehex-3-enyl]cyclopropyl]-4,5-dimethyl-1,2,4-triazole
SMILESC/C=C(\C=C/CC)CC1(c2nnc(C)n2C)CC1
InChIInChI=1S/C15H23N3/c1-5-7-8-13(6-2)11-15(9-10-15)14-17-16-12(3)18(14)4/h6-8H,5,9-11H2,1-4H3/b8-7-,13-6+
InChIKeyVFJALBCHSSNWMI-ZUKYEBQOSA-N
MW245.37 g/mol
LogP3.46
Rot. Bonds5

About 3-[1-[(Z,2Z)-2-ethylidenehex-3-enyl]cyclopropyl]-4,5-dimethyl-1,2,4-triazole

3-[1-[(Z,2Z)-2-ethylidenehex-3-enyl]cyclopropyl]-4,5-dimethyl-1,2,4-triazole (PubChem CID 143046830) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[1-[(Z,2Z)-2-ethylidenehex-3-enyl]cyclopropyl]-4,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[1-[(Z,2Z)-2-ethylidenehex-3-enyl]cyclopropyl]-4,5-dimethyl-1,2,4-triazole
PubChem CID143046830
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-[1-[(Z,2Z)-2-ethylidenehex-3-enyl]cyclopropyl]-4,5-dimethyl-1,2,4-triazole
SMILESC/C=C(\C=C/CC)CC1(c2nnc(C)n2C)CC1
InChIInChI=1S/C15H23N3/c1-5-7-8-13(6-2)11-15(9-10-15)14-17-16-12(3)18(14)4/h6-8H,5,9-11H2,1-4H3/b8-7-,13-6+
InChIKeyVFJALBCHSSNWMI-ZUKYEBQOSA-N
XLogP3.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6R)-2-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2-azaspiro[5.5]undec-9-ene
CID 164629944
3-[(E)-but-2-en-2-yl]-5-[1-[(2Z,4E)-1-fluorohepta-2,4-dien-4-yl]cyclobutyl]-4-methyl-1,2,4-triazole
CID 142840500
3-[1-(4-Chlorocyclohexa-2,4-dien-1-yl)cyclopropyl]-4,5-dicyclopropyl-1,2,4-triazole
CID 70639092
3,4-Dicyclopropyl-5-(1-methyl-4-pentylcyclohex-3-en-1-yl)-1,2,4-triazole
CID 70858493
3-heptan-4-yl-4-methyl-5-[(Z)-3-methylbut-1-enyl]-1,2,4-triazole
CID 130374412
3-[(2Z,3Z)-2-ethylidenehexa-3,5-dienyl]-4,5-dimethyl-1,2,4-triazole
CID 141879735
3-(1-cyclohepta-1,3,6-trien-1-ylcyclobutyl)-5-[(E)-3,4-diethylhex-4-en-3-yl]-4-methyl-1,2,4-triazole;ethane;ethene;prop-1-ene
CID 143046816
ethane;3-[1-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclopropyl]-4-methyl-5-[4-(nitrosomethyl)cyclohexyl]-1,2,4-triazole
CID 143046879
3-Cyclohepta-1,4,6-trien-1-yl-4-methyl-5-(2-methylpent-4-en-2-yl)-1,2,4-triazole
CID 143307307
1-(3,3-Dimethylbutyl)-5-methyl-3-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1,2,4-triazole;sulfane
CID 143912394
3-(1-Cyclohexa-1,5-dien-1-yl-3-methylcyclobutyl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 164164503
3-[1-[(3E)-5-bromohexa-1,3,5-trien-3-yl]-3,3-dimethylcyclobutyl]-4-methyl-1,2,4-triazole
CID 166079781

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(Z,2Z)-2-ethylidenehex-3-enyl]cyclopropyl]-4,5-dimethyl-1,2,4-triazole?
The IUPAC name of 3-[1-[(Z,2Z)-2-ethylidenehex-3-enyl]cyclopropyl]-4,5-dimethyl-1,2,4-triazole (CID 143046830) is 3-[1-[(Z,2Z)-2-ethylidenehex-3-enyl]cyclopropyl]-4,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 3-[1-[(Z,2Z)-2-ethylidenehex-3-enyl]cyclopropyl]-4,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 3-[1-[(Z,2Z)-2-ethylidenehex-3-enyl]cyclopropyl]-4,5-dimethyl-1,2,4-triazole is C/C=C(\C=C/CC)CC1(c2nnc(C)n2C)CC1.
What is the InChIKey of 3-[1-[(Z,2Z)-2-ethylidenehex-3-enyl]cyclopropyl]-4,5-dimethyl-1,2,4-triazole?
The InChIKey is VFJALBCHSSNWMI-ZUKYEBQOSA-N. The full InChI is InChI=1S/C15H23N3/c1-5-7-8-13(6-2)11-15(9-10-15)14-17-16-12(3)18(14)4/h6-8H,5,9-11H2,1-4H3/b8-7-,13-6+.
What are the key properties of 3-[1-[(Z,2Z)-2-ethylidenehex-3-enyl]cyclopropyl]-4,5-dimethyl-1,2,4-triazole?
3-[1-[(Z,2Z)-2-ethylidenehex-3-enyl]cyclopropyl]-4,5-dimethyl-1,2,4-triazole has a molecular weight of 245.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(Z,2Z)-2-ethylidenehex-3-enyl]cyclopropyl]-4,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 143046830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).