6-cyclopropyl-2-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one

C18H22N4OS — CID 126927350

IUPAC6-cyclopropyl-2-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CN(Cc2csc(C3CC3)n2)C1
InChIInChI=1S/C18H22N4OS/c23-17-6-5-16(13-1-2-13)20-22(17)9-12-7-21(8-12)10-15-11-24-18(19-15)14-3-4-14/h5-6,11-14H,1-4,7-10H2
InChIKeyIHAUTAUFYBDVFF-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.59
Rot. Bonds6

About 6-cyclopropyl-2-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126927350) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126927350
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name6-cyclopropyl-2-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CN(Cc2csc(C3CC3)n2)C1
InChIInChI=1S/C18H22N4OS/c23-17-6-5-16(13-1-2-13)20-22(17)9-12-7-21(8-12)10-15-11-24-18(19-15)14-3-4-14/h5-6,11-14H,1-4,7-10H2
InChIKeyIHAUTAUFYBDVFF-UHFFFAOYSA-N
XLogP2.59
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-2-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927059
2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928684
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-(pyrimidin-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927427
6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927419
6-cyclopropyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927332
6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927417
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
6-cyclopropyl-2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126927310
6-cyclopropyl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927461

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (CID 126927350) is 6-cyclopropyl-2-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is O=c1ccc(C2CC2)nn1CC1CN(Cc2csc(C3CC3)n2)C1.
What is the InChIKey of 6-cyclopropyl-2-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is IHAUTAUFYBDVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c23-17-6-5-16(13-1-2-13)20-22(17)9-12-7-21(8-12)10-15-11-24-18(19-15)14-3-4-14/h5-6,11-14H,1-4,7-10H2.
What are the key properties of 6-cyclopropyl-2-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 342.47 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126927350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).