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

C12H17N7O — CID 103061659

IUPAC5-[ethyl(methyl)amino]-2-[(5-hydrazinylpyrazin-2-yl)methyl]pyridazin-3-one
SMILESCCN(C)c1cnn(Cc2cnc(NN)cn2)c(=O)c1
InChIInChI=1S/C12H17N7O/c1-3-18(2)10-4-12(20)19(16-6-10)8-9-5-15-11(17-13)7-14-9/h4-7H,3,8,13H2,1-2H3,(H,15,17)
InChIKeyLSTUEGBTXKTGOF-UHFFFAOYSA-N
MW275.32 g/mol
LogP-0.18
Rot. Bonds5

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

5-[ethyl(methyl)amino]-2-[(5-hydrazinylpyrazin-2-yl)methyl]pyridazin-3-one (PubChem CID 103061659) has the molecular formula C12H17N7O and a molecular weight of 275.32 g/mol. Its IUPAC name is 5-[ethyl(methyl)amino]-2-[(5-hydrazinylpyrazin-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[ethyl(methyl)amino]-2-[(5-hydrazinylpyrazin-2-yl)methyl]pyridazin-3-one
PubChem CID103061659
Molecular FormulaC12H17N7O
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Name5-[ethyl(methyl)amino]-2-[(5-hydrazinylpyrazin-2-yl)methyl]pyridazin-3-one
SMILESCCN(C)c1cnn(Cc2cnc(NN)cn2)c(=O)c1
InChIInChI=1S/C12H17N7O/c1-3-18(2)10-4-12(20)19(16-6-10)8-9-5-15-11(17-13)7-14-9/h4-7H,3,8,13H2,1-2H3,(H,15,17)
InChIKeyLSTUEGBTXKTGOF-UHFFFAOYSA-N
XLogP-0.18
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[ethyl(methyl)amino]-2-[[5-(methylamino)pyrazin-2-yl]methyl]pyridazin-3-one
CID 103057777
2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
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-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393589
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide
CID 114395814
ethyl 4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-oxobutanoate
CID 114396186
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-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanamide
CID 114394012
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

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)amino]-2-[(5-hydrazinylpyrazin-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-[ethyl(methyl)amino]-2-[(5-hydrazinylpyrazin-2-yl)methyl]pyridazin-3-one (CID 103061659) is 5-[ethyl(methyl)amino]-2-[(5-hydrazinylpyrazin-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-[ethyl(methyl)amino]-2-[(5-hydrazinylpyrazin-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-[ethyl(methyl)amino]-2-[(5-hydrazinylpyrazin-2-yl)methyl]pyridazin-3-one is CCN(C)c1cnn(Cc2cnc(NN)cn2)c(=O)c1.
What is the InChIKey of 5-[ethyl(methyl)amino]-2-[(5-hydrazinylpyrazin-2-yl)methyl]pyridazin-3-one?
The InChIKey is LSTUEGBTXKTGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O/c1-3-18(2)10-4-12(20)19(16-6-10)8-9-5-15-11(17-13)7-14-9/h4-7H,3,8,13H2,1-2H3,(H,15,17).
What are the key properties of 5-[ethyl(methyl)amino]-2-[(5-hydrazinylpyrazin-2-yl)methyl]pyridazin-3-one?
5-[ethyl(methyl)amino]-2-[(5-hydrazinylpyrazin-2-yl)methyl]pyridazin-3-one has a molecular weight of 275.32 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)amino]-2-[(5-hydrazinylpyrazin-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103061659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).