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

C18H20N6O — CID 126924581

IUPAC2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1c1nnc3ccccn13)CCC2
InChIInChI=1S/C18H20N6O/c25-17-11-13-5-3-7-15(13)21-24(17)12-14-6-4-10-22(14)18-20-19-16-8-1-2-9-23(16)18/h1-2,8-9,11,14H,3-7,10,12H2
InChIKeyHQVQZVKYQLJWGI-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.44
Rot. Bonds3

About 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

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 (PubChem CID 126924581) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126924581
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1c1nnc3ccccn13)CCC2
InChIInChI=1S/C18H20N6O/c25-17-11-13-5-3-7-15(13)21-24(17)12-14-6-4-10-22(14)18-20-19-16-8-1-2-9-23(16)18/h1-2,8-9,11,14H,3-7,10,12H2
InChIKeyHQVQZVKYQLJWGI-UHFFFAOYSA-N
XLogP1.44
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915121
2-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925162
2-[(1-quinolin-4-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924815
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-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-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924540
2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924803
2-[[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924880
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-a]pyridin-3-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-a]pyridin-3-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126924581) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1cc2c(nn1CC1CCCN1c1nnc3ccccn13)CCC2.
What is the InChIKey of 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?
The InChIKey is HQVQZVKYQLJWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c25-17-11-13-5-3-7-15(13)21-24(17)12-14-6-4-10-22(14)18-20-19-16-8-1-2-9-23(16)18/h1-2,8-9,11,14H,3-7,10,12H2.
What are the key properties of 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?
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 has a molecular weight of 336.40 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126924581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).