5-(2-aminopropan-2-yl)-3-(2-methoxyphenyl)-1H-pyridazin-6-one

C14H17N3O2 — CID 82445812

IUPAC5-(2-aminopropan-2-yl)-3-(2-methoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1ccccc1-c1cc(C(C)(C)N)c(=O)[nH]n1
InChIInChI=1S/C14H17N3O2/c1-14(2,15)10-8-11(16-17-13(10)18)9-6-4-5-7-12(9)19-3/h4-8H,15H2,1-3H3,(H,17,18)
InChIKeyJXSXUTLBSWJFTF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.64
Rot. Bonds3

About 5-(2-aminopropan-2-yl)-3-(2-methoxyphenyl)-1H-pyridazin-6-one

5-(2-aminopropan-2-yl)-3-(2-methoxyphenyl)-1H-pyridazin-6-one (PubChem CID 82445812) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-3-(2-methoxyphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-3-(2-methoxyphenyl)-1H-pyridazin-6-one
PubChem CID82445812
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-(2-aminopropan-2-yl)-3-(2-methoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1ccccc1-c1cc(C(C)(C)N)c(=O)[nH]n1
InChIInChI=1S/C14H17N3O2/c1-14(2,15)10-8-11(16-17-13(10)18)9-6-4-5-7-12(9)19-3/h4-8H,15H2,1-3H3,(H,17,18)
InChIKeyJXSXUTLBSWJFTF-UHFFFAOYSA-N
XLogP1.64
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one
CID 117107083
3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 156565673
3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one
CID 82446409
2-[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 136622086
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258
ethyl 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 57356240
5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one
CID 82445739
N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 110000867
N-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 99821335
N-(1-hydroxy-2-methylbutan-2-yl)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 86786743
3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 121084015
2-(5-methoxynaphthalen-1-yl)propan-2-amine
CID 105468872

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-3-(2-methoxyphenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-(2-aminopropan-2-yl)-3-(2-methoxyphenyl)-1H-pyridazin-6-one (CID 82445812) is 5-(2-aminopropan-2-yl)-3-(2-methoxyphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-3-(2-methoxyphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-(2-aminopropan-2-yl)-3-(2-methoxyphenyl)-1H-pyridazin-6-one is COc1ccccc1-c1cc(C(C)(C)N)c(=O)[nH]n1.
What is the InChIKey of 5-(2-aminopropan-2-yl)-3-(2-methoxyphenyl)-1H-pyridazin-6-one?
The InChIKey is JXSXUTLBSWJFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2,15)10-8-11(16-17-13(10)18)9-6-4-5-7-12(9)19-3/h4-8H,15H2,1-3H3,(H,17,18).
What are the key properties of 5-(2-aminopropan-2-yl)-3-(2-methoxyphenyl)-1H-pyridazin-6-one?
5-(2-aminopropan-2-yl)-3-(2-methoxyphenyl)-1H-pyridazin-6-one has a molecular weight of 259.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropan-2-yl)-3-(2-methoxyphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 82445812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).