5-(1,2,4-triazol-1-yl)pentan-1-ol

C7H13N3O — CID 54204448

IUPAC5-(1,2,4-triazol-1-yl)pentan-1-ol
SMILESOCCCCCn1cncn1
InChIInChI=1S/C7H13N3O/c11-5-3-1-2-4-10-7-8-6-9-10/h6-7,11H,1-5H2
InChIKeyNFPIRCAERNCFBI-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.44
Rot. Bonds5

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

5-(1,2,4-triazol-1-yl)pentan-1-ol (PubChem CID 54204448) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-(1,2,4-triazol-1-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(1,2,4-triazol-1-yl)pentan-1-ol
PubChem CID54204448
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name5-(1,2,4-triazol-1-yl)pentan-1-ol
SMILESOCCCCCn1cncn1
InChIInChI=1S/C7H13N3O/c11-5-3-1-2-4-10-7-8-6-9-10/h6-7,11H,1-5H2
InChIKeyNFPIRCAERNCFBI-UHFFFAOYSA-N
XLogP0.44
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.44
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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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4-triazol-1-yl)pentan-1-ol?
The IUPAC name of 5-(1,2,4-triazol-1-yl)pentan-1-ol (CID 54204448) is 5-(1,2,4-triazol-1-yl)pentan-1-ol.
What is the SMILES notation for 5-(1,2,4-triazol-1-yl)pentan-1-ol?
The canonical SMILES for 5-(1,2,4-triazol-1-yl)pentan-1-ol is OCCCCCn1cncn1.
What is the InChIKey of 5-(1,2,4-triazol-1-yl)pentan-1-ol?
The InChIKey is NFPIRCAERNCFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c11-5-3-1-2-4-10-7-8-6-9-10/h6-7,11H,1-5H2.
What are the key properties of 5-(1,2,4-triazol-1-yl)pentan-1-ol?
5-(1,2,4-triazol-1-yl)pentan-1-ol has a molecular weight of 155.20 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,4-triazol-1-yl)pentan-1-ol is sourced from PubChem (CID 54204448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).