3-(5-propyl-1H-1,2,4-triazol-3-yl)propan-1-ol

C8H15N3O — CID 79200093

IUPAC3-(5-propyl-1H-1,2,4-triazol-3-yl)propan-1-ol
SMILESCCCc1nc(CCCO)n[nH]1
InChIInChI=1S/C8H15N3O/c1-2-4-7-9-8(11-10-7)5-3-6-12/h12H,2-6H2,1H3,(H,9,10,11)
InChIKeyAJXOBSJXRZOEAT-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.68
Rot. Bonds5

About 3-(5-propyl-1H-1,2,4-triazol-3-yl)propan-1-ol

3-(5-propyl-1H-1,2,4-triazol-3-yl)propan-1-ol (PubChem CID 79200093) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-(5-propyl-1H-1,2,4-triazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-propyl-1H-1,2,4-triazol-3-yl)propan-1-ol
PubChem CID79200093
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-(5-propyl-1H-1,2,4-triazol-3-yl)propan-1-ol
SMILESCCCc1nc(CCCO)n[nH]1
InChIInChI=1S/C8H15N3O/c1-2-4-7-9-8(11-10-7)5-3-6-12/h12H,2-6H2,1H3,(H,9,10,11)
InChIKeyAJXOBSJXRZOEAT-UHFFFAOYSA-N
XLogP0.68
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-propyl-1H-1,2,4-triazol-3-yl)propan-1-ol?
The IUPAC name of 3-(5-propyl-1H-1,2,4-triazol-3-yl)propan-1-ol (CID 79200093) is 3-(5-propyl-1H-1,2,4-triazol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(5-propyl-1H-1,2,4-triazol-3-yl)propan-1-ol?
The canonical SMILES for 3-(5-propyl-1H-1,2,4-triazol-3-yl)propan-1-ol is CCCc1nc(CCCO)n[nH]1.
What is the InChIKey of 3-(5-propyl-1H-1,2,4-triazol-3-yl)propan-1-ol?
The InChIKey is AJXOBSJXRZOEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-4-7-9-8(11-10-7)5-3-6-12/h12H,2-6H2,1H3,(H,9,10,11).
What are the key properties of 3-(5-propyl-1H-1,2,4-triazol-3-yl)propan-1-ol?
3-(5-propyl-1H-1,2,4-triazol-3-yl)propan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propyl-1H-1,2,4-triazol-3-yl)propan-1-ol is sourced from PubChem (CID 79200093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).