6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one

C18H24N6O — CID 126927417

IUPAC6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESCN(C)c1ncc(CN2CC(Cn3nc(C4CC4)ccc3=O)C2)cn1
InChIInChI=1S/C18H24N6O/c1-22(2)18-19-7-13(8-20-18)9-23-10-14(11-23)12-24-17(25)6-5-16(21-24)15-3-4-15/h5-8,14-15H,3-4,9-12H2,1-2H3
InChIKeyXOSPUCIQKNCONX-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.11
Rot. Bonds6

About 6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126927417) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126927417
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESCN(C)c1ncc(CN2CC(Cn3nc(C4CC4)ccc3=O)C2)cn1
InChIInChI=1S/C18H24N6O/c1-22(2)18-19-7-13(8-20-18)9-23-10-14(11-23)12-24-17(25)6-5-16(21-24)15-3-4-15/h5-8,14-15H,3-4,9-12H2,1-2H3
InChIKeyXOSPUCIQKNCONX-UHFFFAOYSA-N
XLogP1.11
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865361
6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927419
6-cyclopropyl-2-[[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927427
6-cyclopropyl-2-[[1-[(6-methylpyrazin-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927414
6-cyclopropyl-2-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927480
6-cyclopropyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927332
2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929767
6-cyclopropyl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927461
6-cyclopropyl-2-[[1-(5-cyclopropylpyrimidin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927532
6-cyclopropyl-2-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927350
6-cyclopropyl-2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927503
2-[[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126865313

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one (CID 126927417) is 6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one is CN(C)c1ncc(CN2CC(Cn3nc(C4CC4)ccc3=O)C2)cn1.
What is the InChIKey of 6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is XOSPUCIQKNCONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-22(2)18-19-7-13(8-20-18)9-23-10-14(11-23)12-24-17(25)6-5-16(21-24)15-3-4-15/h5-8,14-15H,3-4,9-12H2,1-2H3.
What are the key properties of 6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 340.43 g/mol, XLogP of 1.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126927417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).