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

C6H9N3O — CID 55285531

IUPAC4-(aminomethyl)-2-methylpyridazin-3-one
SMILESCn1nccc(CN)c1=O
InChIInChI=1S/C6H9N3O/c1-9-6(10)5(4-7)2-3-8-9/h2-3H,4,7H2,1H3
InChIKeyLOPKCKKYEXFSLH-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.76
Rot. Bonds1

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

4-(aminomethyl)-2-methylpyridazin-3-one (PubChem CID 55285531) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-methylpyridazin-3-one
PubChem CID55285531
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name4-(aminomethyl)-2-methylpyridazin-3-one
SMILESCn1nccc(CN)c1=O
InChIInChI=1S/C6H9N3O/c1-9-6(10)5(4-7)2-3-8-9/h2-3H,4,7H2,1H3
InChIKeyLOPKCKKYEXFSLH-UHFFFAOYSA-N
XLogP-0.76
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-Methyl-3-oxopyridazin-4-yl)methyl]guanidine;hydrochloride
CID 166626806
2-Methyl-3-oxo-2,3-dihydropyridazine-4-carboxamide
CID 12122391
2-[(2-Methyl-3-oxopyridazin-4-yl)methyl]guanidine
CID 166625461
N-methyl-3-(3-oxo-2-pyridazinyl)propionamide
CID 20300060
2,4-Dimethylpyridazin-3(2H)-one
CID 20772174
4-(Aminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 23018232
4-(Aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride
CID 23018258
4-(Aminomethyl)-2,3-dihydropyridazin-3-one
CID 55285530
N,2-dimethyl-3-oxopyridazine-4-carboxamide
CID 68317501
N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide
CID 89020618
2-Ethyl-4-methylpyridazin-3-one
CID 89243779
N-ethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 123163293

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methylpyridazin-3-one?
The IUPAC name of 4-(aminomethyl)-2-methylpyridazin-3-one (CID 55285531) is 4-(aminomethyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-(aminomethyl)-2-methylpyridazin-3-one?
The canonical SMILES for 4-(aminomethyl)-2-methylpyridazin-3-one is Cn1nccc(CN)c1=O.
What is the InChIKey of 4-(aminomethyl)-2-methylpyridazin-3-one?
The InChIKey is LOPKCKKYEXFSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-9-6(10)5(4-7)2-3-8-9/h2-3H,4,7H2,1H3.
What are the key properties of 4-(aminomethyl)-2-methylpyridazin-3-one?
4-(aminomethyl)-2-methylpyridazin-3-one has a molecular weight of 139.16 g/mol, XLogP of -0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 55285531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).