4-chloro-2-(2-methylpropyl)-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one

C16H26ClN3O — CID 114440008

IUPAC4-chloro-2-(2-methylpropyl)-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
SMILESCC(C)Cn1ncc(NCC2C(C)(C)C2(C)C)c(Cl)c1=O
InChIInChI=1S/C16H26ClN3O/c1-10(2)9-20-14(21)13(17)11(7-19-20)18-8-12-15(3,4)16(12,5)6/h7,10,12,18H,8-9H2,1-6H3
InChIKeyIABLZRWYBBPFNP-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.65
Rot. Bonds5

About 4-chloro-2-(2-methylpropyl)-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one

4-chloro-2-(2-methylpropyl)-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one (PubChem CID 114440008) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 4-chloro-2-(2-methylpropyl)-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-methylpropyl)-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
PubChem CID114440008
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name4-chloro-2-(2-methylpropyl)-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
SMILESCC(C)Cn1ncc(NCC2C(C)(C)C2(C)C)c(Cl)c1=O
InChIInChI=1S/C16H26ClN3O/c1-10(2)9-20-14(21)13(17)11(7-19-20)18-8-12-15(3,4)16(12,5)6/h7,10,12,18H,8-9H2,1-6H3
InChIKeyIABLZRWYBBPFNP-UHFFFAOYSA-N
XLogP3.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-prop-2-enyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
CID 114439997
4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
CID 114444303
4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114266993
4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136715
4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114444576
4-chloro-5-[(2-methyl-3-methylsulfanylpropyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114438330
4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434019
4-chloro-5-[3-[methyl(propan-2-yl)amino]propylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106048521
N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
CID 114433515
4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114442227
4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one
CID 114432372

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methylpropyl)-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-methylpropyl)-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one (CID 114440008) is 4-chloro-2-(2-methylpropyl)-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-methylpropyl)-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-methylpropyl)-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one is CC(C)Cn1ncc(NCC2C(C)(C)C2(C)C)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-(2-methylpropyl)-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one?
The InChIKey is IABLZRWYBBPFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-10(2)9-20-14(21)13(17)11(7-19-20)18-8-12-15(3,4)16(12,5)6/h7,10,12,18H,8-9H2,1-6H3.
What are the key properties of 4-chloro-2-(2-methylpropyl)-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one?
4-chloro-2-(2-methylpropyl)-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one has a molecular weight of 311.86 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methylpropyl)-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114440008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).