7-piperazin-1-yl-2-(thian-2-yl)-[1,2,4]triazolo[1,5-a]pyridine

C15H21N5S — CID 117236349

IUPAC7-piperazin-1-yl-2-(thian-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESc1cn2nc(C3CCCCS3)nc2cc1N1CCNCC1
InChIInChI=1S/C15H21N5S/c1-2-10-21-13(3-1)15-17-14-11-12(4-7-20(14)18-15)19-8-5-16-6-9-19/h4,7,11,13,16H,1-3,5-6,8-10H2
InChIKeyGWCMOWUGBYUKIK-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.10
Rot. Bonds2

About 7-piperazin-1-yl-2-(thian-2-yl)-[1,2,4]triazolo[1,5-a]pyridine

7-piperazin-1-yl-2-(thian-2-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117236349) has the molecular formula C15H21N5S and a molecular weight of 303.43 g/mol. Its IUPAC name is 7-piperazin-1-yl-2-(thian-2-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-piperazin-1-yl-2-(thian-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117236349
Molecular FormulaC15H21N5S
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC Name7-piperazin-1-yl-2-(thian-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESc1cn2nc(C3CCCCS3)nc2cc1N1CCNCC1
InChIInChI=1S/C15H21N5S/c1-2-10-21-13(3-1)15-17-14-11-12(4-7-20(14)18-15)19-8-5-16-6-9-19/h4,7,11,13,16H,1-3,5-6,8-10H2
InChIKeyGWCMOWUGBYUKIK-UHFFFAOYSA-N
XLogP2.10
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 117236422
7-piperazin-1-yl-2-(thian-4-yl)imidazo[1,2-a]pyridine
CID 117236308
7-piperazin-1-yl-2-(thian-4-ylmethyl)imidazo[1,2-a]pyridine
CID 117236324
2-bromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
CID 141379099
7-methyl-2-piperidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83964859
7-piperazin-1-yl-2-(piperidin-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117236368
7-bromo-2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83844620
3-(7-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)propan-1-ol
CID 117236286
2-cyclobutyl-5-piperazin-1-ylpyrimidine
CID 117212418
2-(2-methylphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine
CID 117236435
1-bromo-3-cyclopropyl-7-piperazin-1-ylimidazo[1,5-a]pyridine
CID 84604563
[2-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
CID 117156188

Frequently Asked Questions

What is the IUPAC name of 7-piperazin-1-yl-2-(thian-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-piperazin-1-yl-2-(thian-2-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117236349) is 7-piperazin-1-yl-2-(thian-2-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-piperazin-1-yl-2-(thian-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-piperazin-1-yl-2-(thian-2-yl)-[1,2,4]triazolo[1,5-a]pyridine is c1cn2nc(C3CCCCS3)nc2cc1N1CCNCC1.
What is the InChIKey of 7-piperazin-1-yl-2-(thian-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GWCMOWUGBYUKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-2-10-21-13(3-1)15-17-14-11-12(4-7-20(14)18-15)19-8-5-16-6-9-19/h4,7,11,13,16H,1-3,5-6,8-10H2.
What are the key properties of 7-piperazin-1-yl-2-(thian-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
7-piperazin-1-yl-2-(thian-2-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 303.43 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperazin-1-yl-2-(thian-2-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117236349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).