5-(3-methylbut-2-enyl)-1-(7-methyloctyl)triazole

C16H29N3 — CID 135219490

IUPAC5-(3-methylbut-2-enyl)-1-(7-methyloctyl)triazole
SMILESCC(C)=CCc1cnnn1CCCCCCC(C)C
InChIInChI=1S/C16H29N3/c1-14(2)9-7-5-6-8-12-19-16(13-17-18-19)11-10-15(3)4/h10,13-14H,5-9,11-12H2,1-4H3
InChIKeyDHCWQIFTIFXGGE-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.39
Rot. Bonds9

About 5-(3-methylbut-2-enyl)-1-(7-methyloctyl)triazole

5-(3-methylbut-2-enyl)-1-(7-methyloctyl)triazole (PubChem CID 135219490) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 5-(3-methylbut-2-enyl)-1-(7-methyloctyl)triazole.

Molecular Properties

Compound Name5-(3-methylbut-2-enyl)-1-(7-methyloctyl)triazole
PubChem CID135219490
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name5-(3-methylbut-2-enyl)-1-(7-methyloctyl)triazole
SMILESCC(C)=CCc1cnnn1CCCCCCC(C)C
InChIInChI=1S/C16H29N3/c1-14(2)9-7-5-6-8-12-19-16(13-17-18-19)11-10-15(3)4/h10,13-14H,5-9,11-12H2,1-4H3
InChIKeyDHCWQIFTIFXGGE-UHFFFAOYSA-N
XLogP4.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-methylbut-2-enyl)-1-(7-methyloctyl)triazole with MolForge

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

Launch Full Analysis

Related Compounds

5-(3-methylbutyl)-1-(8-methylnonyl)triazole
CID 59827215
1-(9-methyldecyl)-5-(4-methylpentyl)triazole
CID 121260609
1-(7-methyloctyl)-5-(4-methylpentyl)triazole
CID 59827225
methane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole)
CID 160506972
5-butyl-1-(7-methyloctyl)triazole
CID 69281455
5-hexyl-1-(6-methylheptyl)triazole
CID 126566666
4-[5-(6-methylheptyl)triazol-1-yl]butane-1-thiol
CID 130380781
5-(4-methylpentyl)-1-(6-methylsulfanylhexyl)triazole
CID 126566664
bis(1,5-bis(4-methylpentyl)triazole);bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);bis(5-(3-methylbutyl)-1-(5-methylhexyl)triazole);1-(3-methylbutyl)-5-(8-methylnonyl)triazole;bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole)
CID 158745845
1-(3,4-dimethylpentyl)-5-(6-methylheptyl)triazole
CID 130380893
1,5-bis(4-methylpentyl)triazole;bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);bis(1-(3-methylbutyl)-5-(8-methylnonyl)triazole);bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole)
CID 159044207
1,5-bis(4-methylpentyl)triazole;bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);1-(3-methylbutyl)-5-(8-methylnonyl)triazole;bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole)
CID 159157538

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbut-2-enyl)-1-(7-methyloctyl)triazole?
The IUPAC name of 5-(3-methylbut-2-enyl)-1-(7-methyloctyl)triazole (CID 135219490) is 5-(3-methylbut-2-enyl)-1-(7-methyloctyl)triazole.
What is the SMILES notation for 5-(3-methylbut-2-enyl)-1-(7-methyloctyl)triazole?
The canonical SMILES for 5-(3-methylbut-2-enyl)-1-(7-methyloctyl)triazole is CC(C)=CCc1cnnn1CCCCCCC(C)C.
What is the InChIKey of 5-(3-methylbut-2-enyl)-1-(7-methyloctyl)triazole?
The InChIKey is DHCWQIFTIFXGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-14(2)9-7-5-6-8-12-19-16(13-17-18-19)11-10-15(3)4/h10,13-14H,5-9,11-12H2,1-4H3.
What are the key properties of 5-(3-methylbut-2-enyl)-1-(7-methyloctyl)triazole?
5-(3-methylbut-2-enyl)-1-(7-methyloctyl)triazole has a molecular weight of 263.43 g/mol, XLogP of 4.39, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbut-2-enyl)-1-(7-methyloctyl)triazole is sourced from PubChem (CID 135219490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).