2-(1-aminopropan-2-yl)-6-methylpyridazin-3-one

C8H13N3O — CID 82167961

IUPAC2-(1-aminopropan-2-yl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(C(C)CN)n1
InChIInChI=1S/C8H13N3O/c1-6-3-4-8(12)11(10-6)7(2)5-9/h3-4,7H,5,9H2,1-2H3
InChIKeyIHBSTTOMRNUGCQ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.07
Rot. Bonds2

About 2-(1-aminopropan-2-yl)-6-methylpyridazin-3-one

2-(1-aminopropan-2-yl)-6-methylpyridazin-3-one (PubChem CID 82167961) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-6-methylpyridazin-3-one
PubChem CID82167961
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(1-aminopropan-2-yl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(C(C)CN)n1
InChIInChI=1S/C8H13N3O/c1-6-3-4-8(12)11(10-6)7(2)5-9/h3-4,7H,5,9H2,1-2H3
InChIKeyIHBSTTOMRNUGCQ-UHFFFAOYSA-N
XLogP0.07
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Methyl-6-oxopyridazin-1(6H)-yl)propanamide
CID 12787584
2-(3-Methyl-6-oxopyridazin-1-yl)ethanethioamide
CID 12787590
N-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
N-[2-(dimethylamino)ethyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443194
3(2H)-Pyridazinone, 6-methyl-2-(2-propenyl)-
CID 12237249
6-Methyl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 62922503
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-6-methylpyridazin-3-one
CID 62923014
2-(2-aminoethyl)-6-(trifluoromethyl)pyridazin-3(2H)-one
CID 84674812
2-(4-Aminobutan-2-yl)-6-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 122239440
2-(3-Aminopropyl)-6-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 122239451
2-(Azetidin-3-yl)-6-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 126857493
2-[(2S)-4-aminobutan-2-yl]-6-(trifluoromethyl)pyridazin-3-one
CID 129531925

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-6-methylpyridazin-3-one?
The IUPAC name of 2-(1-aminopropan-2-yl)-6-methylpyridazin-3-one (CID 82167961) is 2-(1-aminopropan-2-yl)-6-methylpyridazin-3-one.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-6-methylpyridazin-3-one?
The canonical SMILES for 2-(1-aminopropan-2-yl)-6-methylpyridazin-3-one is Cc1ccc(=O)n(C(C)CN)n1.
What is the InChIKey of 2-(1-aminopropan-2-yl)-6-methylpyridazin-3-one?
The InChIKey is IHBSTTOMRNUGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-3-4-8(12)11(10-6)7(2)5-9/h3-4,7H,5,9H2,1-2H3.
What are the key properties of 2-(1-aminopropan-2-yl)-6-methylpyridazin-3-one?
2-(1-aminopropan-2-yl)-6-methylpyridazin-3-one has a molecular weight of 167.21 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-6-methylpyridazin-3-one is sourced from PubChem (CID 82167961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).