2-(3-amino-2-methylpropyl)-5-methylpyridazin-3-one

C9H15N3O — CID 106548353

IUPAC2-(3-amino-2-methylpropyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CC(C)CN)c(=O)c1
InChIInChI=1S/C9H15N3O/c1-7-3-9(13)12(11-5-7)6-8(2)4-10/h3,5,8H,4,6,10H2,1-2H3
InChIKeyBSAPWVBPSBPOKJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.15
Rot. Bonds3

About 2-(3-amino-2-methylpropyl)-5-methylpyridazin-3-one

2-(3-amino-2-methylpropyl)-5-methylpyridazin-3-one (PubChem CID 106548353) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)-5-methylpyridazin-3-one
PubChem CID106548353
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(3-amino-2-methylpropyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CC(C)CN)c(=O)c1
InChIInChI=1S/C9H15N3O/c1-7-3-9(13)12(11-5-7)6-8(2)4-10/h3,5,8H,4,6,10H2,1-2H3
InChIKeyBSAPWVBPSBPOKJ-UHFFFAOYSA-N
XLogP0.15
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one
CID 106548347
3,3,3-Trifluoro-2-[(4-methyl-6-oxopyridazin-1-yl)methyl]propanethioamide
CID 106548702
2-(3-Fluoropropyl)-5-methylpyridazin-3-one
CID 126996145
2-(3-Fluorobutyl)-5-methylpyridazin-3-one
CID 131183205
N-(2-methylpropyl)-6-oxo-1H-pyridazine-4-carboxamide
CID 20785128
5-(Aminomethyl)-2-ethylpyridazin-3(2H)-one
CID 21066412
4-(Aminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 23018232
4-(Aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride
CID 23018258
2-Ethyl-5-methyl-2,3-dihydropyridazin-3-one
CID 124252037
5-Methyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 125451803
5-Methyl-2-prop-2-enylpyridazin-3-one
CID 130677854
2-(3-Aminopropyl)pyridazin-3-one
CID 33675839

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(3-amino-2-methylpropyl)-5-methylpyridazin-3-one (CID 106548353) is 2-(3-amino-2-methylpropyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(3-amino-2-methylpropyl)-5-methylpyridazin-3-one is Cc1cnn(CC(C)CN)c(=O)c1.
What is the InChIKey of 2-(3-amino-2-methylpropyl)-5-methylpyridazin-3-one?
The InChIKey is BSAPWVBPSBPOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-3-9(13)12(11-5-7)6-8(2)4-10/h3,5,8H,4,6,10H2,1-2H3.
What are the key properties of 2-(3-amino-2-methylpropyl)-5-methylpyridazin-3-one?
2-(3-amino-2-methylpropyl)-5-methylpyridazin-3-one has a molecular weight of 181.24 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 106548353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).