1-decyltriazole

C12H23N3 — CID 22494425

IUPAC1-decyltriazole
SMILESCCCCCCCCCCn1ccnn1
InChIInChI=1S/C12H23N3/c1-2-3-4-5-6-7-8-9-11-15-12-10-13-14-15/h10,12H,2-9,11H2,1H3
InChIKeyURWSVJQCDUSIDQ-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.42
Rot. Bonds9

About 1-decyltriazole

1-decyltriazole (PubChem CID 22494425) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-decyltriazole.

Molecular Properties

Compound Name1-decyltriazole
PubChem CID22494425
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-decyltriazole
SMILESCCCCCCCCCCn1ccnn1
InChIInChI=1S/C12H23N3/c1-2-3-4-5-6-7-8-9-11-15-12-10-13-14-15/h10,12H,2-9,11H2,1H3
InChIKeyURWSVJQCDUSIDQ-UHFFFAOYSA-N
XLogP3.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.42
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-decyltriazole?
The IUPAC name of 1-decyltriazole (CID 22494425) is 1-decyltriazole.
What is the SMILES notation for 1-decyltriazole?
The canonical SMILES for 1-decyltriazole is CCCCCCCCCCn1ccnn1.
What is the InChIKey of 1-decyltriazole?
The InChIKey is URWSVJQCDUSIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-2-3-4-5-6-7-8-9-11-15-12-10-13-14-15/h10,12H,2-9,11H2,1H3.
What are the key properties of 1-decyltriazole?
1-decyltriazole has a molecular weight of 209.34 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyltriazole is sourced from PubChem (CID 22494425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).