6-(1H-1,2,4-triazol-5-yl)hexan-1-ol

C8H15N3O — CID 18917362

IUPAC6-(1H-1,2,4-triazol-5-yl)hexan-1-ol
SMILESOCCCCCCc1ncn[nH]1
InChIInChI=1S/C8H15N3O/c12-6-4-2-1-3-5-8-9-7-10-11-8/h7,12H,1-6H2,(H,9,10,11)
InChIKeySJGZOGJRVRYASI-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.90
Rot. Bonds6

About 6-(1H-1,2,4-triazol-5-yl)hexan-1-ol

6-(1H-1,2,4-triazol-5-yl)hexan-1-ol (PubChem CID 18917362) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 6-(1H-1,2,4-triazol-5-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(1H-1,2,4-triazol-5-yl)hexan-1-ol
PubChem CID18917362
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name6-(1H-1,2,4-triazol-5-yl)hexan-1-ol
SMILESOCCCCCCc1ncn[nH]1
InChIInChI=1S/C8H15N3O/c12-6-4-2-1-3-5-8-9-7-10-11-8/h7,12H,1-6H2,(H,9,10,11)
InChIKeySJGZOGJRVRYASI-UHFFFAOYSA-N
XLogP0.90
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
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 6-(1H-1,2,4-triazol-5-yl)hexan-1-ol?
The IUPAC name of 6-(1H-1,2,4-triazol-5-yl)hexan-1-ol (CID 18917362) is 6-(1H-1,2,4-triazol-5-yl)hexan-1-ol.
What is the SMILES notation for 6-(1H-1,2,4-triazol-5-yl)hexan-1-ol?
The canonical SMILES for 6-(1H-1,2,4-triazol-5-yl)hexan-1-ol is OCCCCCCc1ncn[nH]1.
What is the InChIKey of 6-(1H-1,2,4-triazol-5-yl)hexan-1-ol?
The InChIKey is SJGZOGJRVRYASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c12-6-4-2-1-3-5-8-9-7-10-11-8/h7,12H,1-6H2,(H,9,10,11).
What are the key properties of 6-(1H-1,2,4-triazol-5-yl)hexan-1-ol?
6-(1H-1,2,4-triazol-5-yl)hexan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-1,2,4-triazol-5-yl)hexan-1-ol is sourced from PubChem (CID 18917362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).