4-chloro-5-(methylamino)-2-(2-oxopropyl)pyridazin-3-one

C8H10ClN3O2 — CID 1474915

IUPAC4-chloro-5-(methylamino)-2-(2-oxopropyl)pyridazin-3-one
SMILESCNc1cnn(CC(C)=O)c(=O)c1Cl
InChIInChI=1S/C8H10ClN3O2/c1-5(13)4-12-8(14)7(9)6(10-2)3-11-12/h3,10H,4H2,1-2H3
InChIKeyNOERPYPRUUSGCI-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.53
Rot. Bonds3

About 4-chloro-5-(methylamino)-2-(2-oxopropyl)pyridazin-3-one

4-chloro-5-(methylamino)-2-(2-oxopropyl)pyridazin-3-one (PubChem CID 1474915) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 4-chloro-5-(methylamino)-2-(2-oxopropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(methylamino)-2-(2-oxopropyl)pyridazin-3-one
PubChem CID1474915
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name4-chloro-5-(methylamino)-2-(2-oxopropyl)pyridazin-3-one
SMILESCNc1cnn(CC(C)=O)c(=O)c1Cl
InChIInChI=1S/C8H10ClN3O2/c1-5(13)4-12-8(14)7(9)6(10-2)3-11-12/h3,10H,4H2,1-2H3
InChIKeyNOERPYPRUUSGCI-UHFFFAOYSA-N
XLogP0.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-2-methyl-5-(methylamino)-2,3-dihydropyridazin-3-one
CID 10631053
4-Chloro-2-methyl-5-(propan-2-ylamino)pyridazin-3-one
CID 115579930
2-Tert-butyl-4-chloro-5-(propylamino)pyridazin-3-one
CID 117094764
Cambridge id 5349316
CID 779347
4-Chloro-2-propyl-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one
CID 105940508
4-Chloro-2-propan-2-yl-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one
CID 105940556
4-Chloro-2-propyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one
CID 106293940
5-(Butan-2-ylamino)-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 113584234
4-Chloro-2-propyl-5-(2,2,2-trifluoroethylamino)pyridazin-3-one
CID 113584364
4-Chloro-2-propan-2-yl-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 113584719
4-Chloro-2-propyl-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 113584721
2-Butyl-4-chloro-5-(2,2-difluoroethylamino)pyridazin-3-one
CID 113584961

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(methylamino)-2-(2-oxopropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(methylamino)-2-(2-oxopropyl)pyridazin-3-one (CID 1474915) is 4-chloro-5-(methylamino)-2-(2-oxopropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(methylamino)-2-(2-oxopropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(methylamino)-2-(2-oxopropyl)pyridazin-3-one is CNc1cnn(CC(C)=O)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-(methylamino)-2-(2-oxopropyl)pyridazin-3-one?
The InChIKey is NOERPYPRUUSGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-5(13)4-12-8(14)7(9)6(10-2)3-11-12/h3,10H,4H2,1-2H3.
What are the key properties of 4-chloro-5-(methylamino)-2-(2-oxopropyl)pyridazin-3-one?
4-chloro-5-(methylamino)-2-(2-oxopropyl)pyridazin-3-one has a molecular weight of 215.64 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(methylamino)-2-(2-oxopropyl)pyridazin-3-one is sourced from PubChem (CID 1474915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).