5-butyl-1-(7-methyloctyl)triazole

C15H29N3 — CID 69281455

IUPAC5-butyl-1-(7-methyloctyl)triazole
SMILESCCCCc1cnnn1CCCCCCC(C)C
InChIInChI=1S/C15H29N3/c1-4-5-11-15-13-16-17-18(15)12-9-7-6-8-10-14(2)3/h13-14H,4-12H2,1-3H3
InChIKeyVTTCBBRXBVLKBI-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.23
Rot. Bonds10

About 5-butyl-1-(7-methyloctyl)triazole

5-butyl-1-(7-methyloctyl)triazole (PubChem CID 69281455) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 5-butyl-1-(7-methyloctyl)triazole.

Molecular Properties

Compound Name5-butyl-1-(7-methyloctyl)triazole
PubChem CID69281455
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name5-butyl-1-(7-methyloctyl)triazole
SMILESCCCCc1cnnn1CCCCCCC(C)C
InChIInChI=1S/C15H29N3/c1-4-5-11-15-13-16-17-18(15)12-9-7-6-8-10-14(2)3/h13-14H,4-12H2,1-3H3
InChIKeyVTTCBBRXBVLKBI-UHFFFAOYSA-N
XLogP4.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-(7-methyloctyl)triazole?
The IUPAC name of 5-butyl-1-(7-methyloctyl)triazole (CID 69281455) is 5-butyl-1-(7-methyloctyl)triazole.
What is the SMILES notation for 5-butyl-1-(7-methyloctyl)triazole?
The canonical SMILES for 5-butyl-1-(7-methyloctyl)triazole is CCCCc1cnnn1CCCCCCC(C)C.
What is the InChIKey of 5-butyl-1-(7-methyloctyl)triazole?
The InChIKey is VTTCBBRXBVLKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-4-5-11-15-13-16-17-18(15)12-9-7-6-8-10-14(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of 5-butyl-1-(7-methyloctyl)triazole?
5-butyl-1-(7-methyloctyl)triazole has a molecular weight of 251.42 g/mol, XLogP of 4.23, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-(7-methyloctyl)triazole is sourced from PubChem (CID 69281455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).