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

C8H15N3O — CID 107849718

IUPAC6-(1,2,4-triazol-4-yl)hexan-1-ol
SMILESOCCCCCCn1cnnc1
InChIInChI=1S/C8H15N3O/c12-6-4-2-1-3-5-11-7-9-10-8-11/h7-8,12H,1-6H2
InChIKeyDDAHNIRCRQBZFA-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.83
Rot. Bonds6

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

6-(1,2,4-triazol-4-yl)hexan-1-ol (PubChem CID 107849718) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 6-(1,2,4-triazol-4-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(1,2,4-triazol-4-yl)hexan-1-ol
PubChem CID107849718
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name6-(1,2,4-triazol-4-yl)hexan-1-ol
SMILESOCCCCCCn1cnnc1
InChIInChI=1S/C8H15N3O/c12-6-4-2-1-3-5-11-7-9-10-8-11/h7-8,12H,1-6H2
InChIKeyDDAHNIRCRQBZFA-UHFFFAOYSA-N
XLogP0.83
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.83
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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Related Compounds

3-[1,2,4]Triazol-4-yl-nonan-2-ol
CID 44304638
4-(11-Hydroxyundecyl)-4h-1,2,4-triazole
CID 21625721
3-(4H-1,2,4-Triazol-4-yl)propan-1-ol
CID 12888388
4-(4H-1,2,4-Triazol-4-yl)butan-1-ol
CID 12888391
1-(1,2,4-Triazol-1-yl)hexan-2-ol
CID 17845428
6-(1,2,4-Triazol-1-yl)hexan-3-ol
CID 21611998
1-(1,2,4-Triazol-1-yl)heptan-2-ol
CID 21802377
5-(1H-1,2,4-triazol-1-yl)pentan-1-ol
CID 54204448
6-(1h-1,2,4-Triazol-1-yl)hexan-2-ol
CID 61943601
trans-4-(4H-1,2,4-triazol-4-yl)cyclohexan-1-ol
CID 62268799
1-(1,2,4-Triazol-1-yl)heptan-3-ol
CID 70536487
6-(1,2,4-Triazol-4-yl)hexan-3-ol
CID 90704486

Frequently Asked Questions

What is the IUPAC name of 6-(1,2,4-triazol-4-yl)hexan-1-ol?
The IUPAC name of 6-(1,2,4-triazol-4-yl)hexan-1-ol (CID 107849718) is 6-(1,2,4-triazol-4-yl)hexan-1-ol.
What is the SMILES notation for 6-(1,2,4-triazol-4-yl)hexan-1-ol?
The canonical SMILES for 6-(1,2,4-triazol-4-yl)hexan-1-ol is OCCCCCCn1cnnc1.
What is the InChIKey of 6-(1,2,4-triazol-4-yl)hexan-1-ol?
The InChIKey is DDAHNIRCRQBZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c12-6-4-2-1-3-5-11-7-9-10-8-11/h7-8,12H,1-6H2.
What are the key properties of 6-(1,2,4-triazol-4-yl)hexan-1-ol?
6-(1,2,4-triazol-4-yl)hexan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,4-triazol-4-yl)hexan-1-ol is sourced from PubChem (CID 107849718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).