1-(9-methyldecyl)-5-(4-methylpentyl)triazole

C19H37N3 — CID 121260609

IUPAC1-(9-methyldecyl)-5-(4-methylpentyl)triazole
SMILESCC(C)CCCCCCCCn1nncc1CCCC(C)C
InChIInChI=1S/C19H37N3/c1-17(2)12-9-7-5-6-8-10-15-22-19(16-20-21-22)14-11-13-18(3)4/h16-18H,5-15H2,1-4H3
InChIKeyZBIKGKOCQMIWJN-UHFFFAOYSA-N
MW307.53 g/mol
LogP5.64
Rot. Bonds13

About 1-(9-methyldecyl)-5-(4-methylpentyl)triazole

1-(9-methyldecyl)-5-(4-methylpentyl)triazole (PubChem CID 121260609) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is 1-(9-methyldecyl)-5-(4-methylpentyl)triazole.

Molecular Properties

Compound Name1-(9-methyldecyl)-5-(4-methylpentyl)triazole
PubChem CID121260609
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name1-(9-methyldecyl)-5-(4-methylpentyl)triazole
SMILESCC(C)CCCCCCCCn1nncc1CCCC(C)C
InChIInChI=1S/C19H37N3/c1-17(2)12-9-7-5-6-8-10-15-22-19(16-20-21-22)14-11-13-18(3)4/h16-18H,5-15H2,1-4H3
InChIKeyZBIKGKOCQMIWJN-UHFFFAOYSA-N
XLogP5.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.53
LogP ≤ 55.64
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 1-(9-methyldecyl)-5-(4-methylpentyl)triazole?
The IUPAC name of 1-(9-methyldecyl)-5-(4-methylpentyl)triazole (CID 121260609) is 1-(9-methyldecyl)-5-(4-methylpentyl)triazole.
What is the SMILES notation for 1-(9-methyldecyl)-5-(4-methylpentyl)triazole?
The canonical SMILES for 1-(9-methyldecyl)-5-(4-methylpentyl)triazole is CC(C)CCCCCCCCn1nncc1CCCC(C)C.
What is the InChIKey of 1-(9-methyldecyl)-5-(4-methylpentyl)triazole?
The InChIKey is ZBIKGKOCQMIWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3/c1-17(2)12-9-7-5-6-8-10-15-22-19(16-20-21-22)14-11-13-18(3)4/h16-18H,5-15H2,1-4H3.
What are the key properties of 1-(9-methyldecyl)-5-(4-methylpentyl)triazole?
1-(9-methyldecyl)-5-(4-methylpentyl)triazole has a molecular weight of 307.53 g/mol, XLogP of 5.64, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methyldecyl)-5-(4-methylpentyl)triazole is sourced from PubChem (CID 121260609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).