4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride

C9H16ClN3O — CID 23018258

IUPAC4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride
SMILESCC(C)Cn1nccc(CN)c1=O.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-7(2)6-12-9(13)8(5-10)3-4-11-12;/h3-4,7H,5-6,10H2,1-2H3;1H
InChIKeyAWCPPXATZVEGDX-UHFFFAOYSA-N
MW217.70 g/mol
LogP0.78
Rot. Bonds3

About 4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride

4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride (PubChem CID 23018258) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride
PubChem CID23018258
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride
SMILESCC(C)Cn1nccc(CN)c1=O.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-7(2)6-12-9(13)8(5-10)3-4-11-12;/h3-4,7H,5-6,10H2,1-2H3;1H
InChIKeyAWCPPXATZVEGDX-UHFFFAOYSA-N
XLogP0.78
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(3-oxo-2-pyridazinyl)propionamide
CID 20300060
4-(Aminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 23018232
4-(Aminomethyl)-2-methylpyridazin-3-one
CID 55285531
2-methyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide
CID 58988011
N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide
CID 89020618
2-Ethyl-4-methylpyridazin-3-one
CID 89243779
N-(2-methylpropyl)-6-oxo-1H-pyridazine-5-carboxamide
CID 123491464
6-oxo-N-propyl-1H-pyridazine-5-carboxamide
CID 123972958
2,4-Dimethylpyridazin-3-one;ethane
CID 145471918
2-Ethyl-3-oxopyridazine-4-carboxamide
CID 163405185
4-Methyl-2-propylpyridazin-3-one
CID 174155037
2-Butyl-4-methylpyridazin-3-one
CID 174155092

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride?
The IUPAC name of 4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride (CID 23018258) is 4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride is CC(C)Cn1nccc(CN)c1=O.Cl.
What is the InChIKey of 4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride?
The InChIKey is AWCPPXATZVEGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.ClH/c1-7(2)6-12-9(13)8(5-10)3-4-11-12;/h3-4,7H,5-6,10H2,1-2H3;1H.
What are the key properties of 4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride?
4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride is sourced from PubChem (CID 23018258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).