5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one

C13H15N3O2 — CID 103218397

IUPAC5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one
SMILESCOc1ccc(C)cc1Cn1ncc(N)cc1=O
InChIInChI=1S/C13H15N3O2/c1-9-3-4-12(18-2)10(5-9)8-16-13(17)6-11(14)7-15-16/h3-7H,8,14H2,1-2H3
InChIKeyVDNRHRUZXIARLV-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.19
Rot. Bonds3

About 5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one

5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one (PubChem CID 103218397) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one
PubChem CID103218397
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one
SMILESCOc1ccc(C)cc1Cn1ncc(N)cc1=O
InChIInChI=1S/C13H15N3O2/c1-9-3-4-12(18-2)10(5-9)8-16-13(17)6-11(14)7-15-16/h3-7H,8,14H2,1-2H3
InChIKeyVDNRHRUZXIARLV-UHFFFAOYSA-N
XLogP1.19
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one
CID 106548362
2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114393496
4-methoxy-3-[(4-methyl-6-oxopyridazin-1-yl)methyl]benzenecarbothioamide
CID 106548701
5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 103218225
2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one
CID 106548508
5-amino-2-[(6-methoxypyridazin-3-yl)methyl]pyridazin-3-one
CID 114268942
1-[(2-methoxy-5-methylphenyl)methyl]pyrazol-3-amine
CID 62159764
5-amino-2-[(5-methyl-3-pyridinyl)methyl]pyridazin-3-one
CID 103218315
5-amino-2-[(2,3-dichlorophenyl)methyl]pyridazin-3-one
CID 107313014
2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 103218386
1-[(2-methoxy-5-methylphenyl)methyl]-3,5-dimethyl-4-nitropyrazole
CID 8947599
2-[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]-5-methylpyridazin-3-one
CID 106548987

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one (CID 103218397) is 5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one is COc1ccc(C)cc1Cn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one?
The InChIKey is VDNRHRUZXIARLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-3-4-12(18-2)10(5-9)8-16-13(17)6-11(14)7-15-16/h3-7H,8,14H2,1-2H3.
What are the key properties of 5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one?
5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one has a molecular weight of 245.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 103218397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).