2-(2-aminopropyl)-6-methylpyridazin-3-one

C8H13N3O — CID 62923552

IUPAC2-(2-aminopropyl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(C)N)n1
InChIInChI=1S/C8H13N3O/c1-6(9)5-11-8(12)4-3-7(2)10-11/h3-4,6H,5,9H2,1-2H3
InChIKeyKTHVUUOHAQFRMV-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.10
Rot. Bonds2

About 2-(2-aminopropyl)-6-methylpyridazin-3-one

2-(2-aminopropyl)-6-methylpyridazin-3-one (PubChem CID 62923552) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(2-aminopropyl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminopropyl)-6-methylpyridazin-3-one
PubChem CID62923552
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(2-aminopropyl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(C)N)n1
InChIInChI=1S/C8H13N3O/c1-6(9)5-11-8(12)4-3-7(2)10-11/h3-4,6H,5,9H2,1-2H3
InChIKeyKTHVUUOHAQFRMV-UHFFFAOYSA-N
XLogP-0.10
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 ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Methyl-6-oxopyridazin-1-yl)propanethioamide
CID 12787576
3-(3-Methyl-6-oxopyridazin-1-yl)butanethioamide
CID 12787577
3-(3-Methyl-6-oxopyridazin-1(6H)-yl)propanamide
CID 12787584
2-(3-Methyl-6-oxopyridazin-1(6H)-yl)ethanethioamide
CID 12787590
4-(3-Methyl-6-oxopyridazin-1-yl)butanethioamide
CID 12787591
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
N-cyclopentyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 9168301
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-6-methylpyridazin-3-one?
The IUPAC name of 2-(2-aminopropyl)-6-methylpyridazin-3-one (CID 62923552) is 2-(2-aminopropyl)-6-methylpyridazin-3-one.
What is the SMILES notation for 2-(2-aminopropyl)-6-methylpyridazin-3-one?
The canonical SMILES for 2-(2-aminopropyl)-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC(C)N)n1.
What is the InChIKey of 2-(2-aminopropyl)-6-methylpyridazin-3-one?
The InChIKey is KTHVUUOHAQFRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(9)5-11-8(12)4-3-7(2)10-11/h3-4,6H,5,9H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-6-methylpyridazin-3-one?
2-(2-aminopropyl)-6-methylpyridazin-3-one has a molecular weight of 167.21 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-6-methylpyridazin-3-one is sourced from PubChem (CID 62923552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).