6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one

C20H27N5O — CID 126927797

IUPAC6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1cc(N2CC(Cn3nc(C(C)(C)C)ccc3=O)C2)nc(C2CC2)n1
InChIInChI=1S/C20H27N5O/c1-13-9-17(22-19(21-13)15-5-6-15)24-10-14(11-24)12-25-18(26)8-7-16(23-25)20(2,3)4/h7-9,14-15H,5-6,10-12H2,1-4H3
InChIKeySLQGKBNTSQXTQN-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.65
Rot. Bonds4

About 6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one

6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126927797) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126927797
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1cc(N2CC(Cn3nc(C(C)(C)C)ccc3=O)C2)nc(C2CC2)n1
InChIInChI=1S/C20H27N5O/c1-13-9-17(22-19(21-13)15-5-6-15)24-10-14(11-24)12-25-18(26)8-7-16(23-25)20(2,3)4/h7-9,14-15H,5-6,10-12H2,1-4H3
InChIKeySLQGKBNTSQXTQN-UHFFFAOYSA-N
XLogP2.65
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929388
2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928240
6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one
CID 126857323
6-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
CID 126927727
6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862625
6-tert-butyl-2-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126928071
6-tert-butyl-2-[[1-(2-hydroxycyclohexyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126928030
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-(cyclobutanecarbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927631
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-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927933

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one (CID 126927797) is 6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one is Cc1cc(N2CC(Cn3nc(C(C)(C)C)ccc3=O)C2)nc(C2CC2)n1.
What is the InChIKey of 6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is SLQGKBNTSQXTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-13-9-17(22-19(21-13)15-5-6-15)24-10-14(11-24)12-25-18(26)8-7-16(23-25)20(2,3)4/h7-9,14-15H,5-6,10-12H2,1-4H3.
What are the key properties of 6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 353.47 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126927797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).