8-(1,2,4-triazol-1-yl)octan-3-ol

C10H19N3O — CID 91489718

IUPAC8-(1,2,4-triazol-1-yl)octan-3-ol
SMILESCCC(O)CCCCCn1cncn1
InChIInChI=1S/C10H19N3O/c1-2-10(14)6-4-3-5-7-13-9-11-8-12-13/h8-10,14H,2-7H2,1H3
InChIKeyGBAGXAGZOZKLQX-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.61
Rot. Bonds7

About 8-(1,2,4-triazol-1-yl)octan-3-ol

8-(1,2,4-triazol-1-yl)octan-3-ol (PubChem CID 91489718) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 8-(1,2,4-triazol-1-yl)octan-3-ol.

Molecular Properties

Compound Name8-(1,2,4-triazol-1-yl)octan-3-ol
PubChem CID91489718
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name8-(1,2,4-triazol-1-yl)octan-3-ol
SMILESCCC(O)CCCCCn1cncn1
InChIInChI=1S/C10H19N3O/c1-2-10(14)6-4-3-5-7-13-9-11-8-12-13/h8-10,14H,2-7H2,1H3
InChIKeyGBAGXAGZOZKLQX-UHFFFAOYSA-N
XLogP1.61
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.61
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 8-(1,2,4-triazol-1-yl)octan-3-ol?
The IUPAC name of 8-(1,2,4-triazol-1-yl)octan-3-ol (CID 91489718) is 8-(1,2,4-triazol-1-yl)octan-3-ol.
What is the SMILES notation for 8-(1,2,4-triazol-1-yl)octan-3-ol?
The canonical SMILES for 8-(1,2,4-triazol-1-yl)octan-3-ol is CCC(O)CCCCCn1cncn1.
What is the InChIKey of 8-(1,2,4-triazol-1-yl)octan-3-ol?
The InChIKey is GBAGXAGZOZKLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-2-10(14)6-4-3-5-7-13-9-11-8-12-13/h8-10,14H,2-7H2,1H3.
What are the key properties of 8-(1,2,4-triazol-1-yl)octan-3-ol?
8-(1,2,4-triazol-1-yl)octan-3-ol has a molecular weight of 197.28 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2,4-triazol-1-yl)octan-3-ol is sourced from PubChem (CID 91489718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).