2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C17H19N7O — CID 126924339

IUPAC2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1c1ccc3nncn3n1)CCC2
InChIInChI=1S/C17H19N7O/c25-17-9-12-3-1-5-14(12)20-23(17)10-13-4-2-8-22(13)16-7-6-15-19-18-11-24(15)21-16/h6-7,9,11,13H,1-5,8,10H2
InChIKeyCBSFPRBFYYZSRX-UHFFFAOYSA-N
MW337.39 g/mol
LogP0.84
Rot. Bonds3

About 2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126924339) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126924339
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1c1ccc3nncn3n1)CCC2
InChIInChI=1S/C17H19N7O/c25-17-9-12-3-1-5-14(12)20-23(17)10-13-4-2-8-22(13)16-7-6-15-19-18-11-24(15)21-16/h6-7,9,11,13H,1-5,8,10H2
InChIKeyCBSFPRBFYYZSRX-UHFFFAOYSA-N
XLogP0.84
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one with MolForge

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Related Compounds

2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924752
2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924581
2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924803
2-[2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914456
2-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924632
2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924811
2-[2-[2-[([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126938050
2-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924991
2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924605
2-[[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925365
2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924540
2-[2-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126924997

Frequently Asked Questions

What is the IUPAC name of 2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126924339) is 2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1CC1CCCN1c1ccc3nncn3n1)CCC2.
What is the InChIKey of 2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is CBSFPRBFYYZSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c25-17-9-12-3-1-5-14(12)20-23(17)10-13-4-2-8-22(13)16-7-6-15-19-18-11-24(15)21-16/h6-7,9,11,13H,1-5,8,10H2.
What are the key properties of 2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 337.39 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126924339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).