6-(2-aminopropan-2-yl)-2-ethylpyridazin-3-one

C9H15N3O — CID 82442179

IUPAC6-(2-aminopropan-2-yl)-2-ethylpyridazin-3-one
SMILESCCn1nc(C(C)(C)N)ccc1=O
InChIInChI=1S/C9H15N3O/c1-4-12-8(13)6-5-7(11-12)9(2,3)10/h5-6H,4,10H2,1-3H3
InChIKeyPIVANNTXUVBCOJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.46
Rot. Bonds2

About 6-(2-aminopropan-2-yl)-2-ethylpyridazin-3-one

6-(2-aminopropan-2-yl)-2-ethylpyridazin-3-one (PubChem CID 82442179) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-(2-aminopropan-2-yl)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-(2-aminopropan-2-yl)-2-ethylpyridazin-3-one
PubChem CID82442179
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name6-(2-aminopropan-2-yl)-2-ethylpyridazin-3-one
SMILESCCn1nc(C(C)(C)N)ccc1=O
InChIInChI=1S/C9H15N3O/c1-4-12-8(13)6-5-7(11-12)9(2,3)10/h5-6H,4,10H2,1-3H3
InChIKeyPIVANNTXUVBCOJ-UHFFFAOYSA-N
XLogP0.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.46
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-(1-Fluoroethyl)-6-propan-2-ylpyridazin-3-one
CID 170175302
2-(2,2-Difluoroethyl)-6-propan-2-ylpyridazin-3-one
CID 176725895
3(2H)-Pyridazinone, 6-methyl-2-(2-propenyl)-
CID 12237249
2-(2-aminoethyl)-6-methylpyridazin-3(2H)-one
CID 13103485
2-Ethyl-6-methylpyridazin-3-one
CID 12504075
6-Methyl-2-propylpyridazin-3-one
CID 12504076
6-Methyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 58336912
2,6-Di(propan-2-yl)pyridazin-3-one
CID 58748005
2-Methyl-6-propan-2-ylpyridazin-3-one
CID 58757207
CID 59303766
CID 59303766
CID 59303826
CID 59303826

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropan-2-yl)-2-ethylpyridazin-3-one?
The IUPAC name of 6-(2-aminopropan-2-yl)-2-ethylpyridazin-3-one (CID 82442179) is 6-(2-aminopropan-2-yl)-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-(2-aminopropan-2-yl)-2-ethylpyridazin-3-one?
The canonical SMILES for 6-(2-aminopropan-2-yl)-2-ethylpyridazin-3-one is CCn1nc(C(C)(C)N)ccc1=O.
What is the InChIKey of 6-(2-aminopropan-2-yl)-2-ethylpyridazin-3-one?
The InChIKey is PIVANNTXUVBCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-12-8(13)6-5-7(11-12)9(2,3)10/h5-6H,4,10H2,1-3H3.
What are the key properties of 6-(2-aminopropan-2-yl)-2-ethylpyridazin-3-one?
6-(2-aminopropan-2-yl)-2-ethylpyridazin-3-one has a molecular weight of 181.24 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropan-2-yl)-2-ethylpyridazin-3-one is sourced from PubChem (CID 82442179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).