3-(thian-3-yl)triazolo[4,5-b]pyridine

C10H12N4S — CID 117159304

IUPAC3-(thian-3-yl)triazolo[4,5-b]pyridine
SMILESc1cnc2c(c1)nnn2C1CCCSC1
InChIInChI=1S/C10H12N4S/c1-4-9-10(11-5-1)14(13-12-9)8-3-2-6-15-7-8/h1,4-5,8H,2-3,6-7H2
InChIKeyMXPIUSORRLJGRH-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.89
Rot. Bonds1

About 3-(thian-3-yl)triazolo[4,5-b]pyridine

3-(thian-3-yl)triazolo[4,5-b]pyridine (PubChem CID 117159304) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-(thian-3-yl)triazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(thian-3-yl)triazolo[4,5-b]pyridine
PubChem CID117159304
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name3-(thian-3-yl)triazolo[4,5-b]pyridine
SMILESc1cnc2c(c1)nnn2C1CCCSC1
InChIInChI=1S/C10H12N4S/c1-4-9-10(11-5-1)14(13-12-9)8-3-2-6-15-7-8/h1,4-5,8H,2-3,6-7H2
InChIKeyMXPIUSORRLJGRH-UHFFFAOYSA-N
XLogP1.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(thian-3-ylmethyl)triazolo[4,5-b]pyridine
CID 117159338
4-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
CID 117159283
3-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
CID 117159303
3-(3-methylcyclobutyl)triazolo[4,5-b]pyridine
CID 168997176
2-propyl-3-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117165693
3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164099
2-piperidin-3-yl-3-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161851
3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164104
3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164087
2-(thian-3-yl)pyrazol-3-amine
CID 62872187
N-(thian-3-yl)quinolin-5-amine
CID 62873049
2-bromo-1-(thian-3-yl)imidazole
CID 84737479

Frequently Asked Questions

What is the IUPAC name of 3-(thian-3-yl)triazolo[4,5-b]pyridine?
The IUPAC name of 3-(thian-3-yl)triazolo[4,5-b]pyridine (CID 117159304) is 3-(thian-3-yl)triazolo[4,5-b]pyridine.
What is the SMILES notation for 3-(thian-3-yl)triazolo[4,5-b]pyridine?
The canonical SMILES for 3-(thian-3-yl)triazolo[4,5-b]pyridine is c1cnc2c(c1)nnn2C1CCCSC1.
What is the InChIKey of 3-(thian-3-yl)triazolo[4,5-b]pyridine?
The InChIKey is MXPIUSORRLJGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-4-9-10(11-5-1)14(13-12-9)8-3-2-6-15-7-8/h1,4-5,8H,2-3,6-7H2.
What are the key properties of 3-(thian-3-yl)triazolo[4,5-b]pyridine?
3-(thian-3-yl)triazolo[4,5-b]pyridine has a molecular weight of 220.30 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thian-3-yl)triazolo[4,5-b]pyridine is sourced from PubChem (CID 117159304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).