(1-hexyl-5-propyltriazol-4-yl)methanol

C12H23N3O — CID 82205950

IUPAC(1-hexyl-5-propyltriazol-4-yl)methanol
SMILESCCCCCCn1nnc(CO)c1CCC
InChIInChI=1S/C12H23N3O/c1-3-5-6-7-9-15-12(8-4-2)11(10-16)13-14-15/h16H,3-10H2,1-2H3
InChIKeyGDMUZGLFAYPFPB-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.30
Rot. Bonds8

About (1-hexyl-5-propyltriazol-4-yl)methanol

(1-hexyl-5-propyltriazol-4-yl)methanol (PubChem CID 82205950) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (1-hexyl-5-propyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-hexyl-5-propyltriazol-4-yl)methanol
PubChem CID82205950
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(1-hexyl-5-propyltriazol-4-yl)methanol
SMILESCCCCCCn1nnc(CO)c1CCC
InChIInChI=1S/C12H23N3O/c1-3-5-6-7-9-15-12(8-4-2)11(10-16)13-14-15/h16H,3-10H2,1-2H3
InChIKeyGDMUZGLFAYPFPB-UHFFFAOYSA-N
XLogP2.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-hexyl-5-propyltriazol-4-yl)methanol?
The IUPAC name of (1-hexyl-5-propyltriazol-4-yl)methanol (CID 82205950) is (1-hexyl-5-propyltriazol-4-yl)methanol.
What is the SMILES notation for (1-hexyl-5-propyltriazol-4-yl)methanol?
The canonical SMILES for (1-hexyl-5-propyltriazol-4-yl)methanol is CCCCCCn1nnc(CO)c1CCC.
What is the InChIKey of (1-hexyl-5-propyltriazol-4-yl)methanol?
The InChIKey is GDMUZGLFAYPFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-5-6-7-9-15-12(8-4-2)11(10-16)13-14-15/h16H,3-10H2,1-2H3.
What are the key properties of (1-hexyl-5-propyltriazol-4-yl)methanol?
(1-hexyl-5-propyltriazol-4-yl)methanol has a molecular weight of 225.34 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hexyl-5-propyltriazol-4-yl)methanol is sourced from PubChem (CID 82205950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).