2-(5-ethyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethanol

C9H17N3O — CID 153328978

IUPAC2-(5-ethyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethanol
SMILESCCc1nc(C(C)C)nn1CCO
InChIInChI=1S/C9H17N3O/c1-4-8-10-9(7(2)3)11-12(8)5-6-13/h7,13H,4-6H2,1-3H3
InChIKeySKEAXAWCJFZLJS-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.96
Rot. Bonds4

About 2-(5-ethyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethanol

2-(5-ethyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethanol (PubChem CID 153328978) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(5-ethyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-ethyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethanol
PubChem CID153328978
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-(5-ethyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethanol
SMILESCCc1nc(C(C)C)nn1CCO
InChIInChI=1S/C9H17N3O/c1-4-8-10-9(7(2)3)11-12(8)5-6-13/h7,13H,4-6H2,1-3H3
InChIKeySKEAXAWCJFZLJS-UHFFFAOYSA-N
XLogP0.96
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 2-(5-ethyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethanol (CID 153328978) is 2-(5-ethyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-ethyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 2-(5-ethyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethanol is CCc1nc(C(C)C)nn1CCO.
What is the InChIKey of 2-(5-ethyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethanol?
The InChIKey is SKEAXAWCJFZLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-8-10-9(7(2)3)11-12(8)5-6-13/h7,13H,4-6H2,1-3H3.
What are the key properties of 2-(5-ethyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethanol?
2-(5-ethyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethanol has a molecular weight of 183.25 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 153328978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).