4-(1-ethyltriazol-4-yl)butan-1-ol

C8H15N3O — CID 155005936

IUPAC4-(1-ethyltriazol-4-yl)butan-1-ol
SMILESCCn1cc(CCCCO)nn1
InChIInChI=1S/C8H15N3O/c1-2-11-7-8(9-10-11)5-3-4-6-12/h7,12H,2-6H2,1H3
InChIKeyDDFDDOHZILPYDC-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.61
Rot. Bonds5

About 4-(1-ethyltriazol-4-yl)butan-1-ol

4-(1-ethyltriazol-4-yl)butan-1-ol (PubChem CID 155005936) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-(1-ethyltriazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name4-(1-ethyltriazol-4-yl)butan-1-ol
PubChem CID155005936
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-(1-ethyltriazol-4-yl)butan-1-ol
SMILESCCn1cc(CCCCO)nn1
InChIInChI=1S/C8H15N3O/c1-2-11-7-8(9-10-11)5-3-4-6-12/h7,12H,2-6H2,1H3
InChIKeyDDFDDOHZILPYDC-UHFFFAOYSA-N
XLogP0.61
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.61
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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Related Compounds

3-[1-(Cyclohexylmethyl)triazol-4-yl]propan-1-ol
CID 24789332
Ethenyl-[8-[4-(4-hydroxybutyl)triazol-1-yl]octylimino]-oxidoazanium
CID 150134887
3-[1-(12-Iodododecyl)triazol-4-yl]propan-1-ol
CID 122187946
3-[1-(12-Fluorododecyl)triazol-4-yl]propan-1-ol
CID 122187948
Vonifimod
CID 142441856
2-[2-(1-decyl-1H-1,2,3-triazol-4-yl)ethyl]-1,3-dihydroxypropan-2-aminium
CID 167993657
9-[4-(3-Hydroxypropyl)triazol-1-yl]nonyl methanesulfonate
CID 122187942
3-[1-(9-Iodononyl)triazol-4-yl]propan-1-ol
CID 122187945
3-[1-(9-Fluorononyl)triazol-4-yl]propan-1-ol
CID 122187947
6-[4-(3-Hydroxypropyl)triazol-1-yl]hexyl methanesulfonate
CID 122187951
(2S,3R)-2-(4-hexyltriazol-1-yl)dodecane-1,3-diol
CID 127051379
1-(1-methyl-1H-1,2,3-triazol-4-yl)propan-2-ol
CID 83675334

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyltriazol-4-yl)butan-1-ol?
The IUPAC name of 4-(1-ethyltriazol-4-yl)butan-1-ol (CID 155005936) is 4-(1-ethyltriazol-4-yl)butan-1-ol.
What is the SMILES notation for 4-(1-ethyltriazol-4-yl)butan-1-ol?
The canonical SMILES for 4-(1-ethyltriazol-4-yl)butan-1-ol is CCn1cc(CCCCO)nn1.
What is the InChIKey of 4-(1-ethyltriazol-4-yl)butan-1-ol?
The InChIKey is DDFDDOHZILPYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-11-7-8(9-10-11)5-3-4-6-12/h7,12H,2-6H2,1H3.
What are the key properties of 4-(1-ethyltriazol-4-yl)butan-1-ol?
4-(1-ethyltriazol-4-yl)butan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyltriazol-4-yl)butan-1-ol is sourced from PubChem (CID 155005936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).