(2S)-1-(3,5-diethyl-1,2,4-triazol-1-yl)propan-2-ol

C9H17N3O — CID 103935412

IUPAC(2S)-1-(3,5-diethyl-1,2,4-triazol-1-yl)propan-2-ol
SMILESCCc1nc(CC)n(C[C@H](C)O)n1
InChIInChI=1S/C9H17N3O/c1-4-8-10-9(5-2)12(11-8)6-7(3)13/h7,13H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyGXJRJJRYYYRQQA-ZETCQYMHSA-N
MW183.25 g/mol
LogP0.78
Rot. Bonds4

About (2S)-1-(3,5-diethyl-1,2,4-triazol-1-yl)propan-2-ol

(2S)-1-(3,5-diethyl-1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 103935412) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (2S)-1-(3,5-diethyl-1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3,5-diethyl-1,2,4-triazol-1-yl)propan-2-ol
PubChem CID103935412
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(2S)-1-(3,5-diethyl-1,2,4-triazol-1-yl)propan-2-ol
SMILESCCc1nc(CC)n(C[C@H](C)O)n1
InChIInChI=1S/C9H17N3O/c1-4-8-10-9(5-2)12(11-8)6-7(3)13/h7,13H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyGXJRJJRYYYRQQA-ZETCQYMHSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(3,5-diethyl-1,2,4-triazol-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,5-diethyl-1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-(3,5-diethyl-1,2,4-triazol-1-yl)propan-2-ol (CID 103935412) is (2S)-1-(3,5-diethyl-1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(3,5-diethyl-1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(3,5-diethyl-1,2,4-triazol-1-yl)propan-2-ol is CCc1nc(CC)n(C[C@H](C)O)n1.
What is the InChIKey of (2S)-1-(3,5-diethyl-1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is GXJRJJRYYYRQQA-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-8-10-9(5-2)12(11-8)6-7(3)13/h7,13H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-1-(3,5-diethyl-1,2,4-triazol-1-yl)propan-2-ol?
(2S)-1-(3,5-diethyl-1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,5-diethyl-1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 103935412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).