5-chloro-2-(cyclobutylmethyl)-4-(oxan-3-ylmethylamino)pyridazin-3-one

C15H22ClN3O2 — CID 114434443

IUPAC5-chloro-2-(cyclobutylmethyl)-4-(oxan-3-ylmethylamino)pyridazin-3-one
SMILESO=c1c(NCC2CCCOC2)c(Cl)cnn1CC1CCC1
InChIInChI=1S/C15H22ClN3O2/c16-13-8-18-19(9-11-3-1-4-11)15(20)14(13)17-7-12-5-2-6-21-10-12/h8,11-12,17H,1-7,9-10H2
InChIKeyXEZQCMSGBPFIJE-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.54
Rot. Bonds5

About 5-chloro-2-(cyclobutylmethyl)-4-(oxan-3-ylmethylamino)pyridazin-3-one

5-chloro-2-(cyclobutylmethyl)-4-(oxan-3-ylmethylamino)pyridazin-3-one (PubChem CID 114434443) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 5-chloro-2-(cyclobutylmethyl)-4-(oxan-3-ylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclobutylmethyl)-4-(oxan-3-ylmethylamino)pyridazin-3-one
PubChem CID114434443
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name5-chloro-2-(cyclobutylmethyl)-4-(oxan-3-ylmethylamino)pyridazin-3-one
SMILESO=c1c(NCC2CCCOC2)c(Cl)cnn1CC1CCC1
InChIInChI=1S/C15H22ClN3O2/c16-13-8-18-19(9-11-3-1-4-11)15(20)14(13)17-7-12-5-2-6-21-10-12/h8,11-12,17H,1-7,9-10H2
InChIKeyXEZQCMSGBPFIJE-UHFFFAOYSA-N
XLogP2.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(cyclopropylmethyl)-4-(oxan-4-ylmethylamino)pyridazin-3-one
CID 114437978
5-chloro-2-(cyclopropylmethyl)-4-[(3-methylcyclopentyl)methylamino]pyridazin-3-one
CID 107413990
5-chloro-2-(cyclopropylmethyl)-4-[(1,1-dioxothiolan-3-yl)methylamino]pyridazin-3-one
CID 114434540
5-chloro-2-(cyclopropylmethyl)-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
CID 114439992
5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one
CID 107850449
5-chloro-2-(cyclobutylmethyl)-4-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one
CID 106430881
5-chloro-2-(cyclobutylmethyl)-4-(thiophen-2-ylmethylamino)pyridazin-3-one
CID 114432959
5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
CID 114436255
5-chloro-2-(cyclobutylmethyl)-4-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 114433355
5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one
CID 114432695
4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114444067
5-chloro-2-(cyclobutylmethyl)-4-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridazin-3-one
CID 106311185

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-(oxan-3-ylmethylamino)pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-(oxan-3-ylmethylamino)pyridazin-3-one (CID 114434443) is 5-chloro-2-(cyclobutylmethyl)-4-(oxan-3-ylmethylamino)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclobutylmethyl)-4-(oxan-3-ylmethylamino)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclobutylmethyl)-4-(oxan-3-ylmethylamino)pyridazin-3-one is O=c1c(NCC2CCCOC2)c(Cl)cnn1CC1CCC1.
What is the InChIKey of 5-chloro-2-(cyclobutylmethyl)-4-(oxan-3-ylmethylamino)pyridazin-3-one?
The InChIKey is XEZQCMSGBPFIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c16-13-8-18-19(9-11-3-1-4-11)15(20)14(13)17-7-12-5-2-6-21-10-12/h8,11-12,17H,1-7,9-10H2.
What are the key properties of 5-chloro-2-(cyclobutylmethyl)-4-(oxan-3-ylmethylamino)pyridazin-3-one?
5-chloro-2-(cyclobutylmethyl)-4-(oxan-3-ylmethylamino)pyridazin-3-one has a molecular weight of 311.81 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclobutylmethyl)-4-(oxan-3-ylmethylamino)pyridazin-3-one is sourced from PubChem (CID 114434443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).