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

C11H12N4S — CID 142265859

IUPAC3-(2,5-dimethyl-1,3-dihydro-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine
SMILESCC1=NC(c2csc3ncccc23)N(C)N1
InChIInChI=1S/C11H12N4S/c1-7-13-10(15(2)14-7)9-6-16-11-8(9)4-3-5-12-11/h3-6,10H,1-2H3,(H,13,14)
InChIKeyPTVGPXPMEXDIQJ-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.16
Rot. Bonds1

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

3-(2,5-dimethyl-1,3-dihydro-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine (PubChem CID 142265859) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 3-(2,5-dimethyl-1,3-dihydro-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine.

Molecular Properties

Compound Name3-(2,5-dimethyl-1,3-dihydro-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine
PubChem CID142265859
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name3-(2,5-dimethyl-1,3-dihydro-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine
SMILESCC1=NC(c2csc3ncccc23)N(C)N1
InChIInChI=1S/C11H12N4S/c1-7-13-10(15(2)14-7)9-6-16-11-8(9)4-3-5-12-11/h3-6,10H,1-2H3,(H,13,14)
InChIKeyPTVGPXPMEXDIQJ-UHFFFAOYSA-N
XLogP2.16
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropylthieno[2,3-b]pyridine
CID 119087285
1-methyl-5-thieno[2,3-b]pyridin-3-ylpiperidin-3-amine
CID 82383679
1-methyl-6-thieno[2,3-b]pyridin-3-ylpiperidin-3-amine
CID 82383690
3-(4,5-dimethyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine
CID 59796423
N-(1-thieno[2,3-b]pyridin-3-ylethylidene)hydroxylamine
CID 130883012
2-thieno[2,3-b]pyridin-3-ylacetic acid
CID 82402092
benzyl 5-acetyl-2,6-dimethyl-4-thieno[2,3-b]pyridin-3-yl-1,4-dihydropyridine-3-carboxylate
CID 138593760
3-(fluoromethoxy)thieno[2,3-b]pyridine
CID 119087038
2,6-dicyclohexyl-5-methoxycarbonyl-4-thieno[2,3-b]pyridin-3-yl-1,4-dihydropyridine-3-carboxylic acid
CID 175487474
4-thieno[2,3-b]pyridin-3-ylphenol
CID 139624317
4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid
CID 74892802
2-[2,6-di(propan-2-yl)phenyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 10448241

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-1,3-dihydro-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine?
The IUPAC name of 3-(2,5-dimethyl-1,3-dihydro-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine (CID 142265859) is 3-(2,5-dimethyl-1,3-dihydro-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine.
What is the SMILES notation for 3-(2,5-dimethyl-1,3-dihydro-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine?
The canonical SMILES for 3-(2,5-dimethyl-1,3-dihydro-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine is CC1=NC(c2csc3ncccc23)N(C)N1.
What is the InChIKey of 3-(2,5-dimethyl-1,3-dihydro-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine?
The InChIKey is PTVGPXPMEXDIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-7-13-10(15(2)14-7)9-6-16-11-8(9)4-3-5-12-11/h3-6,10H,1-2H3,(H,13,14).
What are the key properties of 3-(2,5-dimethyl-1,3-dihydro-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine?
3-(2,5-dimethyl-1,3-dihydro-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine has a molecular weight of 232.31 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-1,3-dihydro-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine is sourced from PubChem (CID 142265859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).