2-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine

C15H14N8S — CID 166605628

IUPAC2-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESc1cc2sc(N3CCN(c4nccn5cnnc45)CC3)nc2cn1
InChIInChI=1S/C15H14N8S/c1-2-16-9-11-12(1)24-15(19-11)22-7-5-21(6-8-22)13-14-20-18-10-23(14)4-3-17-13/h1-4,9-10H,5-8H2
InChIKeyRWEVJNGKXRIVFE-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.46
Rot. Bonds2

About 2-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine

2-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 166605628) has the molecular formula C15H14N8S and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
PubChem CID166605628
Molecular FormulaC15H14N8S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC Name2-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESc1cc2sc(N3CCN(c4nccn5cnnc45)CC3)nc2cn1
InChIInChI=1S/C15H14N8S/c1-2-16-9-11-12(1)24-15(19-11)22-7-5-21(6-8-22)13-14-20-18-10-23(14)4-3-17-13/h1-4,9-10H,5-8H2
InChIKeyRWEVJNGKXRIVFE-UHFFFAOYSA-N
XLogP1.46
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 166601649
8-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 166605117
2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 171702430
4-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]quinazoline
CID 166605547
8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 80673667
2-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 163357343
2-(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)-1,3-benzothiazole
CID 155975559
3-(methoxymethyl)-5-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 171323723
2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 154583364
N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine
CID 171326342
1-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,5-dihydro-2H-1,4-benzodiazepine
CID 71926075
3-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]oxolane-3-carboxylic acid
CID 154801150

Frequently Asked Questions

What is the IUPAC name of 2-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine (CID 166605628) is 2-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine is c1cc2sc(N3CCN(c4nccn5cnnc45)CC3)nc2cn1.
What is the InChIKey of 2-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is RWEVJNGKXRIVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8S/c1-2-16-9-11-12(1)24-15(19-11)22-7-5-21(6-8-22)13-14-20-18-10-23(14)4-3-17-13/h1-4,9-10H,5-8H2.
What are the key properties of 2-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
2-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 338.40 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 166605628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).