4-(1,2,4-triazol-4-yl)butan-1-ol

C6H11N3O — CID 12888391

IUPAC4-(1,2,4-triazol-4-yl)butan-1-ol
SMILESOCCCCn1cnnc1
InChIInChI=1S/C6H11N3O/c10-4-2-1-3-9-5-7-8-6-9/h5-6,10H,1-4H2
InChIKeyONTJWQNXCCDPDU-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.05
Rot. Bonds4

About 4-(1,2,4-triazol-4-yl)butan-1-ol

4-(1,2,4-triazol-4-yl)butan-1-ol (PubChem CID 12888391) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-(1,2,4-triazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name4-(1,2,4-triazol-4-yl)butan-1-ol
PubChem CID12888391
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name4-(1,2,4-triazol-4-yl)butan-1-ol
SMILESOCCCCn1cnnc1
InChIInChI=1S/C6H11N3O/c10-4-2-1-3-9-5-7-8-6-9/h5-6,10H,1-4H2
InChIKeyONTJWQNXCCDPDU-UHFFFAOYSA-N
XLogP0.05
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(1,2,4-triazol-4-yl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 181844
CID 181844
CID 4711802
CID 4711802
CID 12888388
CID 12888388
CID 150386405
CID 150386405
CID 106172503
CID 106172503
CID 165632899
CID 165632899
CID 12888389
CID 12888389
CID 12888390
CID 12888390
CID 17996796
CID 17996796
CID 18975349
CID 18975349
CID 20208130
CID 20208130
CID 20480945
CID 20480945

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-triazol-4-yl)butan-1-ol?
The IUPAC name of 4-(1,2,4-triazol-4-yl)butan-1-ol (CID 12888391) is 4-(1,2,4-triazol-4-yl)butan-1-ol.
What is the SMILES notation for 4-(1,2,4-triazol-4-yl)butan-1-ol?
The canonical SMILES for 4-(1,2,4-triazol-4-yl)butan-1-ol is OCCCCn1cnnc1.
What is the InChIKey of 4-(1,2,4-triazol-4-yl)butan-1-ol?
The InChIKey is ONTJWQNXCCDPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c10-4-2-1-3-9-5-7-8-6-9/h5-6,10H,1-4H2.
What are the key properties of 4-(1,2,4-triazol-4-yl)butan-1-ol?
4-(1,2,4-triazol-4-yl)butan-1-ol has a molecular weight of 141.17 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-triazol-4-yl)butan-1-ol is sourced from PubChem (CID 12888391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).