2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one

C17H19N7O2 — CID 126939497

IUPAC2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1C1COCC1Nc1ccc3nncn3n1)CCCC2
InChIInChI=1S/C17H19N7O2/c25-17-7-11-3-1-2-4-12(11)21-24(17)14-9-26-8-13(14)19-15-5-6-16-20-18-10-23(16)22-15/h5-7,10,13-14H,1-4,8-9H2,(H,19,22)
InChIKeyWTHNJEYJKLKPGX-UHFFFAOYSA-N
MW353.39 g/mol
LogP0.61
Rot. Bonds3

About 2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126939497) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is 2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126939497
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1C1COCC1Nc1ccc3nncn3n1)CCCC2
InChIInChI=1S/C17H19N7O2/c25-17-7-11-3-1-2-4-12(11)21-24(17)14-9-26-8-13(14)19-15-5-6-16-20-18-10-23(16)22-15/h5-7,10,13-14H,1-4,8-9H2,(H,19,22)
InChIKeyWTHNJEYJKLKPGX-UHFFFAOYSA-N
XLogP0.61
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

2-[4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939250
2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939372
2-[4-(phthalazin-1-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939567
2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939335
2-[4-(pyrazin-2-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939235
2-[4-(cyclobutylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939561
2-[4-(1H-benzimidazol-2-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939505
6-(dimethylamino)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]pyridazine-3-carboxamide
CID 126939455
2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939351
2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939332
2-[4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939611
2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939532

Frequently Asked Questions

What is the IUPAC name of 2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126939497) is 2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one is O=c1cc2c(nn1C1COCC1Nc1ccc3nncn3n1)CCCC2.
What is the InChIKey of 2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is WTHNJEYJKLKPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c25-17-7-11-3-1-2-4-12(11)21-24(17)14-9-26-8-13(14)19-15-5-6-16-20-18-10-23(16)22-15/h5-7,10,13-14H,1-4,8-9H2,(H,19,22).
What are the key properties of 2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 353.39 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 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-b]pyridazin-6-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126939497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).