(1-hexyltriazol-4-yl)methanol

C9H17N3O — CID 62401837

IUPAC(1-hexyltriazol-4-yl)methanol
SMILESCCCCCCn1cc(CO)nn1
InChIInChI=1S/C9H17N3O/c1-2-3-4-5-6-12-7-9(8-13)10-11-12/h7,13H,2-6,8H2,1H3
InChIKeyQSKIRFHROMPAJE-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.35
Rot. Bonds6

About (1-hexyltriazol-4-yl)methanol

(1-hexyltriazol-4-yl)methanol (PubChem CID 62401837) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (1-hexyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-hexyltriazol-4-yl)methanol
PubChem CID62401837
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(1-hexyltriazol-4-yl)methanol
SMILESCCCCCCn1cc(CO)nn1
InChIInChI=1S/C9H17N3O/c1-2-3-4-5-6-12-7-9(8-13)10-11-12/h7,13H,2-6,8H2,1H3
InChIKeyQSKIRFHROMPAJE-UHFFFAOYSA-N
XLogP1.35
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.35
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-hexyltriazol-4-yl)methanol?
The IUPAC name of (1-hexyltriazol-4-yl)methanol (CID 62401837) is (1-hexyltriazol-4-yl)methanol.
What is the SMILES notation for (1-hexyltriazol-4-yl)methanol?
The canonical SMILES for (1-hexyltriazol-4-yl)methanol is CCCCCCn1cc(CO)nn1.
What is the InChIKey of (1-hexyltriazol-4-yl)methanol?
The InChIKey is QSKIRFHROMPAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-2-3-4-5-6-12-7-9(8-13)10-11-12/h7,13H,2-6,8H2,1H3.
What are the key properties of (1-hexyltriazol-4-yl)methanol?
(1-hexyltriazol-4-yl)methanol has a molecular weight of 183.25 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hexyltriazol-4-yl)methanol is sourced from PubChem (CID 62401837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).