2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one

C19H20N6O2 — CID 126925964

IUPAC2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCn1nc(N2CCCC2Cn2nc(-c3cccnc3)ccc2=O)ccc1=O
InChIInChI=1S/C19H20N6O2/c1-23-18(26)9-7-17(22-23)24-11-3-5-15(24)13-25-19(27)8-6-16(21-25)14-4-2-10-20-12-14/h2,4,6-10,12,15H,3,5,11,13H2,1H3
InChIKeyZFJPTFKQERZQMF-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.07
Rot. Bonds4

About 2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one

2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one (PubChem CID 126925964) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
PubChem CID126925964
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCn1nc(N2CCCC2Cn2nc(-c3cccnc3)ccc2=O)ccc1=O
InChIInChI=1S/C19H20N6O2/c1-23-18(26)9-7-17(22-23)24-11-3-5-15(24)13-25-19(27)8-6-16(21-25)14-4-2-10-20-12-14/h2,4,6-10,12,15H,3,5,11,13H2,1H3
InChIKeyZFJPTFKQERZQMF-UHFFFAOYSA-N
XLogP1.07
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one (CID 126925964) is 2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one is Cn1nc(N2CCCC2Cn2nc(-c3cccnc3)ccc2=O)ccc1=O.
What is the InChIKey of 2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
The InChIKey is ZFJPTFKQERZQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-23-18(26)9-7-17(22-23)24-11-3-5-15(24)13-25-19(27)8-6-16(21-25)14-4-2-10-20-12-14/h2,4,6-10,12,15H,3,5,11,13H2,1H3.
What are the key properties of 2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one has a molecular weight of 364.41 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 126925964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).