4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]-1,2,4-triazole

C11H13N3 — CID 146539349

IUPAC4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]-1,2,4-triazole
SMILESC=C/C(C)=C\C=C(/C=C)n1cnnc1
InChIInChI=1S/C11H13N3/c1-4-10(3)6-7-11(5-2)14-8-12-13-9-14/h4-9H,1-2H2,3H3/b10-6-,11-7+
InChIKeyFMJCVJUGCSVUDB-NAKBGQTNSA-N
MW187.25 g/mol
LogP2.44
Rot. Bonds4

About 4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]-1,2,4-triazole

4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]-1,2,4-triazole (PubChem CID 146539349) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]-1,2,4-triazole.

Molecular Properties

Compound Name4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]-1,2,4-triazole
PubChem CID146539349
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]-1,2,4-triazole
SMILESC=C/C(C)=C\C=C(/C=C)n1cnnc1
InChIInChI=1S/C11H13N3/c1-4-10(3)6-7-11(5-2)14-8-12-13-9-14/h4-9H,1-2H2,3H3/b10-6-,11-7+
InChIKeyFMJCVJUGCSVUDB-NAKBGQTNSA-N
XLogP2.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]-1,2,4-triazole?
The IUPAC name of 4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]-1,2,4-triazole (CID 146539349) is 4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]-1,2,4-triazole.
What is the SMILES notation for 4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]-1,2,4-triazole?
The canonical SMILES for 4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]-1,2,4-triazole is C=C/C(C)=C\C=C(/C=C)n1cnnc1.
What is the InChIKey of 4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]-1,2,4-triazole?
The InChIKey is FMJCVJUGCSVUDB-NAKBGQTNSA-N. The full InChI is InChI=1S/C11H13N3/c1-4-10(3)6-7-11(5-2)14-8-12-13-9-14/h4-9H,1-2H2,3H3/b10-6-,11-7+.
What are the key properties of 4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]-1,2,4-triazole?
4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]-1,2,4-triazole has a molecular weight of 187.25 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]-1,2,4-triazole is sourced from PubChem (CID 146539349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).