3-[5-(1,2,4-triazol-1-yl)pentan-2-yloxy]propan-1-ol

C10H19N3O2 — CID 129273593

IUPAC3-[5-(1,2,4-triazol-1-yl)pentan-2-yloxy]propan-1-ol
SMILESCC(CCCn1cncn1)OCCCO
InChIInChI=1S/C10H19N3O2/c1-10(15-7-3-6-14)4-2-5-13-9-11-8-12-13/h8-10,14H,2-7H2,1H3
InChIKeyLUCQSIKMMZGWES-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.85
Rot. Bonds8

About 3-[5-(1,2,4-triazol-1-yl)pentan-2-yloxy]propan-1-ol

3-[5-(1,2,4-triazol-1-yl)pentan-2-yloxy]propan-1-ol (PubChem CID 129273593) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[5-(1,2,4-triazol-1-yl)pentan-2-yloxy]propan-1-ol.

Molecular Properties

Compound Name3-[5-(1,2,4-triazol-1-yl)pentan-2-yloxy]propan-1-ol
PubChem CID129273593
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name3-[5-(1,2,4-triazol-1-yl)pentan-2-yloxy]propan-1-ol
SMILESCC(CCCn1cncn1)OCCCO
InChIInChI=1S/C10H19N3O2/c1-10(15-7-3-6-14)4-2-5-13-9-11-8-12-13/h8-10,14H,2-7H2,1H3
InChIKeyLUCQSIKMMZGWES-UHFFFAOYSA-N
XLogP0.85
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-[5-(1,2,4-triazol-1-yl)pentan-2-yloxy]propan-1-ol?
The IUPAC name of 3-[5-(1,2,4-triazol-1-yl)pentan-2-yloxy]propan-1-ol (CID 129273593) is 3-[5-(1,2,4-triazol-1-yl)pentan-2-yloxy]propan-1-ol.
What is the SMILES notation for 3-[5-(1,2,4-triazol-1-yl)pentan-2-yloxy]propan-1-ol?
The canonical SMILES for 3-[5-(1,2,4-triazol-1-yl)pentan-2-yloxy]propan-1-ol is CC(CCCn1cncn1)OCCCO.
What is the InChIKey of 3-[5-(1,2,4-triazol-1-yl)pentan-2-yloxy]propan-1-ol?
The InChIKey is LUCQSIKMMZGWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-10(15-7-3-6-14)4-2-5-13-9-11-8-12-13/h8-10,14H,2-7H2,1H3.
What are the key properties of 3-[5-(1,2,4-triazol-1-yl)pentan-2-yloxy]propan-1-ol?
3-[5-(1,2,4-triazol-1-yl)pentan-2-yloxy]propan-1-ol has a molecular weight of 213.28 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,2,4-triazol-1-yl)pentan-2-yloxy]propan-1-ol is sourced from PubChem (CID 129273593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).