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

C13H18N6O — CID 103057777

IUPAC5-[ethyl(methyl)amino]-2-[[5-(methylamino)pyrazin-2-yl]methyl]pyridazin-3-one
SMILESCCN(C)c1cnn(Cc2cnc(NC)cn2)c(=O)c1
InChIInChI=1S/C13H18N6O/c1-4-18(3)11-5-13(20)19(17-7-11)9-10-6-16-12(14-2)8-15-10/h5-8H,4,9H2,1-3H3,(H,14,16)
InChIKeyXIGXSHZVNIPKIQ-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.58
Rot. Bonds5

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

5-[ethyl(methyl)amino]-2-[[5-(methylamino)pyrazin-2-yl]methyl]pyridazin-3-one (PubChem CID 103057777) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-[ethyl(methyl)amino]-2-[[5-(methylamino)pyrazin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[ethyl(methyl)amino]-2-[[5-(methylamino)pyrazin-2-yl]methyl]pyridazin-3-one
PubChem CID103057777
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name5-[ethyl(methyl)amino]-2-[[5-(methylamino)pyrazin-2-yl]methyl]pyridazin-3-one
SMILESCCN(C)c1cnn(Cc2cnc(NC)cn2)c(=O)c1
InChIInChI=1S/C13H18N6O/c1-4-18(3)11-5-13(20)19(17-7-11)9-10-6-16-12(14-2)8-15-10/h5-8H,4,9H2,1-3H3,(H,14,16)
InChIKeyXIGXSHZVNIPKIQ-UHFFFAOYSA-N
XLogP0.58
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[ethyl(methyl)amino]-2-[(5-hydrazinylpyrazin-2-yl)methyl]pyridazin-3-one
CID 103061659
2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394839
2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114397276
2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one
CID 114396533
2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394326
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114395571
2-[(2-bromo-4-fluorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114396929
5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-methylpyrazin-2-amine
CID 103057413
5-[ethyl(methyl)amino]-2-(2-methyl-3-sulfanylpropyl)pyridazin-3-one
CID 114399054
5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
CID 114394819
2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393589

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)amino]-2-[[5-(methylamino)pyrazin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-[ethyl(methyl)amino]-2-[[5-(methylamino)pyrazin-2-yl]methyl]pyridazin-3-one (CID 103057777) is 5-[ethyl(methyl)amino]-2-[[5-(methylamino)pyrazin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-[ethyl(methyl)amino]-2-[[5-(methylamino)pyrazin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-[ethyl(methyl)amino]-2-[[5-(methylamino)pyrazin-2-yl]methyl]pyridazin-3-one is CCN(C)c1cnn(Cc2cnc(NC)cn2)c(=O)c1.
What is the InChIKey of 5-[ethyl(methyl)amino]-2-[[5-(methylamino)pyrazin-2-yl]methyl]pyridazin-3-one?
The InChIKey is XIGXSHZVNIPKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-4-18(3)11-5-13(20)19(17-7-11)9-10-6-16-12(14-2)8-15-10/h5-8H,4,9H2,1-3H3,(H,14,16).
What are the key properties of 5-[ethyl(methyl)amino]-2-[[5-(methylamino)pyrazin-2-yl]methyl]pyridazin-3-one?
5-[ethyl(methyl)amino]-2-[[5-(methylamino)pyrazin-2-yl]methyl]pyridazin-3-one has a molecular weight of 274.33 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)amino]-2-[[5-(methylamino)pyrazin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 103057777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).