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

C6H11N3O — CID 18917333

IUPAC4-(1H-1,2,4-triazol-5-yl)butan-1-ol
SMILESOCCCCc1ncn[nH]1
InChIInChI=1S/C6H11N3O/c10-4-2-1-3-6-7-5-8-9-6/h5,10H,1-4H2,(H,7,8,9)
InChIKeyMAINWCNTQQPQEJ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.12
Rot. Bonds4

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

4-(1H-1,2,4-triazol-5-yl)butan-1-ol (PubChem CID 18917333) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-(1H-1,2,4-triazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name4-(1H-1,2,4-triazol-5-yl)butan-1-ol
PubChem CID18917333
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name4-(1H-1,2,4-triazol-5-yl)butan-1-ol
SMILESOCCCCc1ncn[nH]1
InChIInChI=1S/C6H11N3O/c10-4-2-1-3-6-7-5-8-9-6/h5,10H,1-4H2,(H,7,8,9)
InChIKeyMAINWCNTQQPQEJ-UHFFFAOYSA-N
XLogP0.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(1H-1,2,4-triazol-5-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

1-(4H-1,2,4-Triazol-3-yl)propan-1-ol hydrochloride
CID 137964058
2-(4H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride
CID 155943735
2-(1H-1,2,4-triazol-3-yl)ethan-1-ol
CID 22140765
3-fluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 67571305
4-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]butan-1-ol
CID 176177924
4,4,4-trifluoro-1-(1H-1,2,4-triazol-5-yl)butan-1-ol
CID 65362771
5,5,5-trifluoro-1-(1H-1,2,4-triazol-5-yl)pentan-1-ol
CID 115516123
3-(1H-1,2,4-triazol-3-yl)propan-1-ol
CID 18917205
6-(1H-1,2,4-triazol-5-yl)hexan-1-ol
CID 18917362
1-(4H-1,2,4-triazol-3-yl)propan-1-ol
CID 19811983
1-(1H-1,2,4-triazol-3-yl)propan-2-ol
CID 23311302
1,3-bis(1H-1,2,4-triazol-5-yl)propan-2-ol
CID 56994299

Frequently Asked Questions

What is the IUPAC name of 4-(1H-1,2,4-triazol-5-yl)butan-1-ol?
The IUPAC name of 4-(1H-1,2,4-triazol-5-yl)butan-1-ol (CID 18917333) is 4-(1H-1,2,4-triazol-5-yl)butan-1-ol.
What is the SMILES notation for 4-(1H-1,2,4-triazol-5-yl)butan-1-ol?
The canonical SMILES for 4-(1H-1,2,4-triazol-5-yl)butan-1-ol is OCCCCc1ncn[nH]1.
What is the InChIKey of 4-(1H-1,2,4-triazol-5-yl)butan-1-ol?
The InChIKey is MAINWCNTQQPQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c10-4-2-1-3-6-7-5-8-9-6/h5,10H,1-4H2,(H,7,8,9).
What are the key properties of 4-(1H-1,2,4-triazol-5-yl)butan-1-ol?
4-(1H-1,2,4-triazol-5-yl)butan-1-ol has a molecular weight of 141.17 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-1,2,4-triazol-5-yl)butan-1-ol is sourced from PubChem (CID 18917333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).