3-(3-ethyltriazol-4-yl)-2-methylthiolan-3-ol

C9H15N3OS — CID 130484192

IUPAC3-(3-ethyltriazol-4-yl)-2-methylthiolan-3-ol
SMILESCCn1nncc1C1(O)CCSC1C
InChIInChI=1S/C9H15N3OS/c1-3-12-8(6-10-11-12)9(13)4-5-14-7(9)2/h6-7,13H,3-5H2,1-2H3
InChIKeyZGYLNSNGPJAJNU-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.01
Rot. Bonds2

About 3-(3-ethyltriazol-4-yl)-2-methylthiolan-3-ol

3-(3-ethyltriazol-4-yl)-2-methylthiolan-3-ol (PubChem CID 130484192) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-(3-ethyltriazol-4-yl)-2-methylthiolan-3-ol.

Molecular Properties

Compound Name3-(3-ethyltriazol-4-yl)-2-methylthiolan-3-ol
PubChem CID130484192
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name3-(3-ethyltriazol-4-yl)-2-methylthiolan-3-ol
SMILESCCn1nncc1C1(O)CCSC1C
InChIInChI=1S/C9H15N3OS/c1-3-12-8(6-10-11-12)9(13)4-5-14-7(9)2/h6-7,13H,3-5H2,1-2H3
InChIKeyZGYLNSNGPJAJNU-UHFFFAOYSA-N
XLogP1.01
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-ethyltriazol-4-yl)-2-methylthiolan-3-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 3-(3-ethyltriazol-4-yl)-2-methylthiolan-3-ol?
The IUPAC name of 3-(3-ethyltriazol-4-yl)-2-methylthiolan-3-ol (CID 130484192) is 3-(3-ethyltriazol-4-yl)-2-methylthiolan-3-ol.
What is the SMILES notation for 3-(3-ethyltriazol-4-yl)-2-methylthiolan-3-ol?
The canonical SMILES for 3-(3-ethyltriazol-4-yl)-2-methylthiolan-3-ol is CCn1nncc1C1(O)CCSC1C.
What is the InChIKey of 3-(3-ethyltriazol-4-yl)-2-methylthiolan-3-ol?
The InChIKey is ZGYLNSNGPJAJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-12-8(6-10-11-12)9(13)4-5-14-7(9)2/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 3-(3-ethyltriazol-4-yl)-2-methylthiolan-3-ol?
3-(3-ethyltriazol-4-yl)-2-methylthiolan-3-ol has a molecular weight of 213.31 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyltriazol-4-yl)-2-methylthiolan-3-ol is sourced from PubChem (CID 130484192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).