5-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one

C8H13N3O — CID 106548573

IUPAC5-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one
SMILESCNCCn1ncc(C)cc1=O
InChIInChI=1S/C8H13N3O/c1-7-5-8(12)11(10-6-7)4-3-9-2/h5-6,9H,3-4H2,1-2H3
InChIKeySXBFMOIWTMNIFO-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.23
Rot. Bonds3

About 5-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one

5-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one (PubChem CID 106548573) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one
PubChem CID106548573
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one
SMILESCNCCn1ncc(C)cc1=O
InChIInChI=1S/C8H13N3O/c1-7-5-8(12)11(10-6-7)4-3-9-2/h5-6,9H,3-4H2,1-2H3
InChIKeySXBFMOIWTMNIFO-UHFFFAOYSA-N
XLogP-0.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Aminoethyl)-2,3-dihydropyridazin-3-one
CID 10534729
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one
CID 106548281
5-Methyl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 106549116
2-(2-Aminoethyl)-5-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 164645064
N-(2-methylpropyl)-6-oxo-1H-pyridazine-4-carboxamide
CID 20785128
5-(Aminomethyl)-2-ethylpyridazin-3(2H)-one
CID 21066412
2-Ethyl-5-methyl-2,3-dihydropyridazin-3-one
CID 124252037
5-Methyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 125451803
5-Methyl-2-prop-2-enylpyridazin-3-one
CID 130677854
N-ethyl-2-(6-oxopyridazin-1-yl)acetamide
CID 131201227
2-[2-(Propylamino)ethyl]pyridazin-3-one
CID 62848550
2-[2-(Butylamino)ethyl]pyridazin-3-one
CID 62848573

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one?
The IUPAC name of 5-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one (CID 106548573) is 5-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 5-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one is CNCCn1ncc(C)cc1=O.
What is the InChIKey of 5-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one?
The InChIKey is SXBFMOIWTMNIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7-5-8(12)11(10-6-7)4-3-9-2/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 5-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one?
5-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one has a molecular weight of 167.21 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(methylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 106548573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).