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

C16H19N5O — CID 126927427

IUPAC6-cyclopropyl-2-[[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CN(Cc2ncccn2)C1
InChIInChI=1S/C16H19N5O/c22-16-5-4-14(13-2-3-13)19-21(16)10-12-8-20(9-12)11-15-17-6-1-7-18-15/h1,4-7,12-13H,2-3,8-11H2
InChIKeyAEVHEWJJYFTBSH-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.04
Rot. Bonds5

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

6-cyclopropyl-2-[[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126927427) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126927427
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name6-cyclopropyl-2-[[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CN(Cc2ncccn2)C1
InChIInChI=1S/C16H19N5O/c22-16-5-4-14(13-2-3-13)19-21(16)10-12-8-20(9-12)11-15-17-6-1-7-18-15/h1,4-7,12-13H,2-3,8-11H2
InChIKeyAEVHEWJJYFTBSH-UHFFFAOYSA-N
XLogP1.04
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126927310
6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927419
6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927417
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-[(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
6-cyclopropyl-2-[[1-[(6-methylpyrazin-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927414
2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
CID 126927306
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-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927503
6-cyclopropyl-2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927367

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one (CID 126927427) is 6-cyclopropyl-2-[[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one is O=c1ccc(C2CC2)nn1CC1CN(Cc2ncccn2)C1.
What is the InChIKey of 6-cyclopropyl-2-[[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is AEVHEWJJYFTBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c22-16-5-4-14(13-2-3-13)19-21(16)10-12-8-20(9-12)11-15-17-6-1-7-18-15/h1,4-7,12-13H,2-3,8-11H2.
What are the key properties of 6-cyclopropyl-2-[[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 297.36 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126927427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).