2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole

C11H12N8S — CID 24590333

IUPAC2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole
SMILESc1csc(N2CCN(c3ccc4nnnn4n3)CC2)n1
InChIInChI=1S/C11H12N8S/c1-2-10(14-19-9(1)13-15-16-19)17-4-6-18(7-5-17)11-12-3-8-20-11/h1-3,8H,4-7H2
InChIKeyDMEMLQUBIQCSDQ-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.30
Rot. Bonds2

About 2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole

2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole (PubChem CID 24590333) has the molecular formula C11H12N8S and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole
PubChem CID24590333
Molecular FormulaC11H12N8S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole
SMILESc1csc(N2CCN(c3ccc4nnnn4n3)CC2)n1
InChIInChI=1S/C11H12N8S/c1-2-10(14-19-9(1)13-15-16-19)17-4-6-18(7-5-17)11-12-3-8-20-11/h1-3,8H,4-7H2
InChIKeyDMEMLQUBIQCSDQ-UHFFFAOYSA-N
XLogP0.30
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-(6-Pyrimidin-2-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole
CID 71578933
5-[6-[4-(Trifluoromethyl)pyrimidin-2-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole
CID 71579008
2-Methyl-5-[[3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 53568125
3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 6625908
6-[4-(1,3-Thiazol-4-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67340793
6-[4-(1,3-Thiazol-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67341534
2-[4-[3-(Trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]-1,3-thiazole
CID 17417553
2-[[3-(Trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3-thiazole
CID 47370961
N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 49432078
N-[3-(1,3-thiazol-2-yl)propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 53592427
N,7,8-trimethyl-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71967901
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 103703832

Frequently Asked Questions

What is the IUPAC name of 2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole (CID 24590333) is 2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole is c1csc(N2CCN(c3ccc4nnnn4n3)CC2)n1.
What is the InChIKey of 2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is DMEMLQUBIQCSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N8S/c1-2-10(14-19-9(1)13-15-16-19)17-4-6-18(7-5-17)11-12-3-8-20-11/h1-3,8H,4-7H2.
What are the key properties of 2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole?
2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 288.34 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 24590333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).