4-(aminomethyl)-5-(ethylamino)-2-methylpyridazin-3-one

C8H14N4O — CID 46848463

IUPAC4-(aminomethyl)-5-(ethylamino)-2-methylpyridazin-3-one
SMILESCCNc1cnn(C)c(=O)c1CN
InChIInChI=1S/C8H14N4O/c1-3-10-7-5-11-12(2)8(13)6(7)4-9/h5,10H,3-4,9H2,1-2H3
InChIKeyQDRKYZIEFYYYBJ-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.33
Rot. Bonds3

About 4-(aminomethyl)-5-(ethylamino)-2-methylpyridazin-3-one

4-(aminomethyl)-5-(ethylamino)-2-methylpyridazin-3-one (PubChem CID 46848463) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-(aminomethyl)-5-(ethylamino)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-(aminomethyl)-5-(ethylamino)-2-methylpyridazin-3-one
PubChem CID46848463
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-(aminomethyl)-5-(ethylamino)-2-methylpyridazin-3-one
SMILESCCNc1cnn(C)c(=O)c1CN
InChIInChI=1S/C8H14N4O/c1-3-10-7-5-11-12(2)8(13)6(7)4-9/h5,10H,3-4,9H2,1-2H3
InChIKeyQDRKYZIEFYYYBJ-UHFFFAOYSA-N
XLogP-0.33
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Aminomethyl)-2-methyl-5-(pyrrolidin-1-yl)pyridazin-3(2h)-one
CID 46848991
5-[(3-Aminocyclobutyl)amino]-2-methyl-4-(trifluoromethyl)pyridazin-3-one
CID 176384804
5-amino-2-tert-butyl-4-methylpyridazin-3-(2H)-one
CID 19081366
5,7-Dimethyl-2,3,4,5-tetrahydro-6(7H)-pyridazino[4,5-b][1,5]diazepinone
CID 69957540
CID 71011032
CID 71011032
4-Methanimidoyl-5-(methylamino)-2-prop-2-enylpyridazin-3-one
CID 156187890
5-Amino-2,4-dimethylpyridazin-3-one
CID 170978729
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propylpropanamide
CID 47299139
3-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,2-dimethylpropanamide
CID 75512508
3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylpropanamide
CID 80746212
3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N-methylpropanamide
CID 80746725
(2S)-3-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,2-dimethylpropanamide
CID 97787039

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-(ethylamino)-2-methylpyridazin-3-one?
The IUPAC name of 4-(aminomethyl)-5-(ethylamino)-2-methylpyridazin-3-one (CID 46848463) is 4-(aminomethyl)-5-(ethylamino)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-(aminomethyl)-5-(ethylamino)-2-methylpyridazin-3-one?
The canonical SMILES for 4-(aminomethyl)-5-(ethylamino)-2-methylpyridazin-3-one is CCNc1cnn(C)c(=O)c1CN.
What is the InChIKey of 4-(aminomethyl)-5-(ethylamino)-2-methylpyridazin-3-one?
The InChIKey is QDRKYZIEFYYYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-10-7-5-11-12(2)8(13)6(7)4-9/h5,10H,3-4,9H2,1-2H3.
What are the key properties of 4-(aminomethyl)-5-(ethylamino)-2-methylpyridazin-3-one?
4-(aminomethyl)-5-(ethylamino)-2-methylpyridazin-3-one has a molecular weight of 182.23 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-(ethylamino)-2-methylpyridazin-3-one is sourced from PubChem (CID 46848463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).