4-chloro-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-(2-methylpropyl)pyridazin-3-one

C13H17ClN4O2 — CID 114436371

IUPAC4-chloro-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCc1cc(CNc2cnn(CC(C)C)c(=O)c2Cl)no1
InChIInChI=1S/C13H17ClN4O2/c1-8(2)7-18-13(19)12(14)11(6-16-18)15-5-10-4-9(3)20-17-10/h4,6,8,15H,5,7H2,1-3H3
InChIKeyGOBHSMVEWLPKSN-UHFFFAOYSA-N
MW296.76 g/mol
LogP2.46
Rot. Bonds5

About 4-chloro-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-(2-methylpropyl)pyridazin-3-one

4-chloro-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 114436371) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 4-chloro-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-(2-methylpropyl)pyridazin-3-one
PubChem CID114436371
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name4-chloro-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCc1cc(CNc2cnn(CC(C)C)c(=O)c2Cl)no1
InChIInChI=1S/C13H17ClN4O2/c1-8(2)7-18-13(19)12(14)11(6-16-18)15-5-10-4-9(3)20-17-10/h4,6,8,15H,5,7H2,1-3H3
InChIKeyGOBHSMVEWLPKSN-UHFFFAOYSA-N
XLogP2.46
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-(2-methylpropyl)-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridazin-3-one
CID 114434295
4-chloro-2-(2-methylpropyl)-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
CID 114436460
4-chloro-5-[(2,5-dimethylpyrrol-1-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114439918
4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114266993
4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114444576
4-chloro-2-(2-methylpropyl)-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
CID 114440008
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
N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
CID 114433515
4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136715
4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114442227
4-chloro-2-(2-methylpropyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-one
CID 114444303

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-(2-methylpropyl)pyridazin-3-one (CID 114436371) is 4-chloro-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-(2-methylpropyl)pyridazin-3-one is Cc1cc(CNc2cnn(CC(C)C)c(=O)c2Cl)no1.
What is the InChIKey of 4-chloro-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is GOBHSMVEWLPKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c1-8(2)7-18-13(19)12(14)11(6-16-18)15-5-10-4-9(3)20-17-10/h4,6,8,15H,5,7H2,1-3H3.
What are the key properties of 4-chloro-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-(2-methylpropyl)pyridazin-3-one?
4-chloro-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 296.76 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114436371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).