6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one

C18H25N5O2 — CID 126927853

IUPAC6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESCn1cncc(CN2CC(Cn3nc(C(C)(C)C)ccc3=O)C2)c1=O
InChIInChI=1S/C18H25N5O2/c1-18(2,3)15-5-6-16(24)23(20-15)10-13-8-22(9-13)11-14-7-19-12-21(4)17(14)25/h5-7,12-13H,8-11H2,1-4H3
InChIKeyVRVWXWJJSAHWIS-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.77
Rot. Bonds4

About 6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one

6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126927853) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126927853
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESCn1cncc(CN2CC(Cn3nc(C(C)(C)C)ccc3=O)C2)c1=O
InChIInChI=1S/C18H25N5O2/c1-18(2,3)15-5-6-16(24)23(20-15)10-13-8-22(9-13)11-14-7-19-12-21(4)17(14)25/h5-7,12-13H,8-11H2,1-4H3
InChIKeyVRVWXWJJSAHWIS-UHFFFAOYSA-N
XLogP0.77
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

6-tert-butyl-2-[[1-[(1-methyl-2-oxopyrimidin-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927852
6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927752
6-tert-butyl-2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927933
6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927754
6-tert-butyl-2-[[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126928040
6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927851
6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one
CID 126857323
6-tert-butyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927932
6-tert-butyl-2-[[1-(cyclobutanecarbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927631
6-tert-butyl-2-[[1-(1,4-dioxan-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927967
6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927876
6-tert-butyl-2-[[1-[(1-hydroxycyclobutyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126928028

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (CID 126927853) is 6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is Cn1cncc(CN2CC(Cn3nc(C(C)(C)C)ccc3=O)C2)c1=O.
What is the InChIKey of 6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is VRVWXWJJSAHWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-18(2,3)15-5-6-16(24)23(20-15)10-13-8-22(9-13)11-14-7-19-12-21(4)17(14)25/h5-7,12-13H,8-11H2,1-4H3.
What are the key properties of 6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 343.43 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126927853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).