5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol

C8H15N3O — CID 70041672

IUPAC5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol
SMILESCn1ncnc1CCCCCO
InChIInChI=1S/C8H15N3O/c1-11-8(9-7-10-11)5-3-2-4-6-12/h7,12H,2-6H2,1H3
InChIKeyMYKZVABAPCFPIM-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.52
Rot. Bonds5

About 5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol

5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol (PubChem CID 70041672) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol
PubChem CID70041672
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol
SMILESCn1ncnc1CCCCCO
InChIInChI=1S/C8H15N3O/c1-11-8(9-7-10-11)5-3-2-4-6-12/h7,12H,2-6H2,1H3
InChIKeyMYKZVABAPCFPIM-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
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-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol?
The IUPAC name of 5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol (CID 70041672) is 5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol.
What is the SMILES notation for 5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol?
The canonical SMILES for 5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol is Cn1ncnc1CCCCCO.
What is the InChIKey of 5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol?
The InChIKey is MYKZVABAPCFPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-11-8(9-7-10-11)5-3-2-4-6-12/h7,12H,2-6H2,1H3.
What are the key properties of 5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol?
5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol is sourced from PubChem (CID 70041672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).