3-(4,5-dimethyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine

C11H10N4S — CID 59796423

IUPAC3-(4,5-dimethyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine
SMILESCc1nnc(-c2csc3ncccc23)n1C
InChIInChI=1S/C11H10N4S/c1-7-13-14-10(15(7)2)9-6-16-11-8(9)4-3-5-12-11/h3-6H,1-2H3
InChIKeyILHKGIOYYYIVBA-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.40
Rot. Bonds1

About 3-(4,5-dimethyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine

3-(4,5-dimethyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine (PubChem CID 59796423) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine
PubChem CID59796423
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name3-(4,5-dimethyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine
SMILESCc1nnc(-c2csc3ncccc23)n1C
InChIInChI=1S/C11H10N4S/c1-7-13-14-10(15(7)2)9-6-16-11-8(9)4-3-5-12-11/h3-6H,1-2H3
InChIKeyILHKGIOYYYIVBA-UHFFFAOYSA-N
XLogP2.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine?
The IUPAC name of 3-(4,5-dimethyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine (CID 59796423) is 3-(4,5-dimethyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine.
What is the SMILES notation for 3-(4,5-dimethyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine?
The canonical SMILES for 3-(4,5-dimethyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine is Cc1nnc(-c2csc3ncccc23)n1C.
What is the InChIKey of 3-(4,5-dimethyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine?
The InChIKey is ILHKGIOYYYIVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-7-13-14-10(15(7)2)9-6-16-11-8(9)4-3-5-12-11/h3-6H,1-2H3.
What are the key properties of 3-(4,5-dimethyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine?
3-(4,5-dimethyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine has a molecular weight of 230.30 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine is sourced from PubChem (CID 59796423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).