(3-methyltriazol-4-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol

C9H13N5OS — CID 105128739

IUPAC(3-methyltriazol-4-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCC(C)c1nnsc1C(O)c1cnnn1C
InChIInChI=1S/C9H13N5OS/c1-5(2)7-9(16-13-11-7)8(15)6-4-10-12-14(6)3/h4-5,8,15H,1-3H3
InChIKeyYEZWLHQVFVCTLS-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.87
Rot. Bonds3

About (3-methyltriazol-4-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol

(3-methyltriazol-4-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol (PubChem CID 105128739) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is (3-methyltriazol-4-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-methyltriazol-4-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol
PubChem CID105128739
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name(3-methyltriazol-4-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCC(C)c1nnsc1C(O)c1cnnn1C
InChIInChI=1S/C9H13N5OS/c1-5(2)7-9(16-13-11-7)8(15)6-4-10-12-14(6)3/h4-5,8,15H,1-3H3
InChIKeyYEZWLHQVFVCTLS-UHFFFAOYSA-N
XLogP0.87
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3-methyltriazol-4-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol 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-methyltriazol-4-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The IUPAC name of (3-methyltriazol-4-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol (CID 105128739) is (3-methyltriazol-4-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol.
What is the SMILES notation for (3-methyltriazol-4-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The canonical SMILES for (3-methyltriazol-4-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol is CC(C)c1nnsc1C(O)c1cnnn1C.
What is the InChIKey of (3-methyltriazol-4-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
The InChIKey is YEZWLHQVFVCTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-5(2)7-9(16-13-11-7)8(15)6-4-10-12-14(6)3/h4-5,8,15H,1-3H3.
What are the key properties of (3-methyltriazol-4-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol?
(3-methyltriazol-4-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol has a molecular weight of 239.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyltriazol-4-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105128739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).