5-(4-amino-2-methoxyphenyl)-1H-pyridazin-6-one

C11H11N3O2 — CID 174508815

IUPAC5-(4-amino-2-methoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1cc(N)ccc1-c1ccn[nH]c1=O
InChIInChI=1S/C11H11N3O2/c1-16-10-6-7(12)2-3-8(10)9-4-5-13-14-11(9)15/h2-6H,12H2,1H3,(H,14,15)
InChIKeyVWWZOKLEMWIOCM-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.03
Rot. Bonds2

About 5-(4-amino-2-methoxyphenyl)-1H-pyridazin-6-one

5-(4-amino-2-methoxyphenyl)-1H-pyridazin-6-one (PubChem CID 174508815) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-(4-amino-2-methoxyphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(4-amino-2-methoxyphenyl)-1H-pyridazin-6-one
PubChem CID174508815
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name5-(4-amino-2-methoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1cc(N)ccc1-c1ccn[nH]c1=O
InChIInChI=1S/C11H11N3O2/c1-16-10-6-7(12)2-3-8(10)9-4-5-13-14-11(9)15/h2-6H,12H2,1H3,(H,14,15)
InChIKeyVWWZOKLEMWIOCM-UHFFFAOYSA-N
XLogP1.03
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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4-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methoxyaniline
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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-methoxyphenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-(4-amino-2-methoxyphenyl)-1H-pyridazin-6-one (CID 174508815) is 5-(4-amino-2-methoxyphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-(4-amino-2-methoxyphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-(4-amino-2-methoxyphenyl)-1H-pyridazin-6-one is COc1cc(N)ccc1-c1ccn[nH]c1=O.
What is the InChIKey of 5-(4-amino-2-methoxyphenyl)-1H-pyridazin-6-one?
The InChIKey is VWWZOKLEMWIOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-10-6-7(12)2-3-8(10)9-4-5-13-14-11(9)15/h2-6H,12H2,1H3,(H,14,15).
What are the key properties of 5-(4-amino-2-methoxyphenyl)-1H-pyridazin-6-one?
5-(4-amino-2-methoxyphenyl)-1H-pyridazin-6-one has a molecular weight of 217.23 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-methoxyphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 174508815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).