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

C8H15N3O — CID 65362645

IUPAC1-(1H-1,2,4-triazol-5-yl)hexan-1-ol
SMILESCCCCCC(O)c1ncn[nH]1
InChIInChI=1S/C8H15N3O/c1-2-3-4-5-7(12)8-9-6-10-11-8/h6-7,12H,2-5H2,1H3,(H,9,10,11)
InChIKeyBVZGCFKXXCLCEA-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.42
Rot. Bonds5

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

1-(1H-1,2,4-triazol-5-yl)hexan-1-ol (PubChem CID 65362645) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-yl)hexan-1-ol.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-yl)hexan-1-ol
PubChem CID65362645
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(1H-1,2,4-triazol-5-yl)hexan-1-ol
SMILESCCCCCC(O)c1ncn[nH]1
InChIInChI=1S/C8H15N3O/c1-2-3-4-5-7(12)8-9-6-10-11-8/h6-7,12H,2-5H2,1H3,(H,9,10,11)
InChIKeyBVZGCFKXXCLCEA-UHFFFAOYSA-N
XLogP1.42
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.42
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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Related Compounds

(1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 124509417
5-octadecan-2-yl-1H-1,2,4-triazole
CID 157179819
5-hexan-2-yl-1H-1,2,4-triazole
CID 122599049
N-ethyl-1-(1H-1,2,4-triazol-5-yl)decan-1-amine
CID 65360398
3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 65362596
2-(1H-1,2,4-triazol-5-yl)hexanoic acid
CID 142767992
2-(4-ethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65363176
5-(3-ethylheptan-2-yl)-1H-1,2,4-triazole
CID 160535592
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide
CID 103722955
1-(1H-1,2,4-triazol-5-yl)pentylurea
CID 175608881
1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol
CID 67570980
N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine
CID 65360719

Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-yl)hexan-1-ol?
The IUPAC name of 1-(1H-1,2,4-triazol-5-yl)hexan-1-ol (CID 65362645) is 1-(1H-1,2,4-triazol-5-yl)hexan-1-ol.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-yl)hexan-1-ol?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-yl)hexan-1-ol is CCCCCC(O)c1ncn[nH]1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-yl)hexan-1-ol?
The InChIKey is BVZGCFKXXCLCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-3-4-5-7(12)8-9-6-10-11-8/h6-7,12H,2-5H2,1H3,(H,9,10,11).
What are the key properties of 1-(1H-1,2,4-triazol-5-yl)hexan-1-ol?
1-(1H-1,2,4-triazol-5-yl)hexan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-yl)hexan-1-ol is sourced from PubChem (CID 65362645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).