5-amino-2-[(6-methoxypyridazin-3-yl)methyl]pyridazin-3-one

C10H11N5O2 — CID 114268942

IUPAC5-amino-2-[(6-methoxypyridazin-3-yl)methyl]pyridazin-3-one
SMILESCOc1ccc(Cn2ncc(N)cc2=O)nn1
InChIInChI=1S/C10H11N5O2/c1-17-9-3-2-8(13-14-9)6-15-10(16)4-7(11)5-12-15/h2-5H,6,11H2,1H3
InChIKeyALUGENLWKOFBJU-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.33
Rot. Bonds3

About 5-amino-2-[(6-methoxypyridazin-3-yl)methyl]pyridazin-3-one

5-amino-2-[(6-methoxypyridazin-3-yl)methyl]pyridazin-3-one (PubChem CID 114268942) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-amino-2-[(6-methoxypyridazin-3-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[(6-methoxypyridazin-3-yl)methyl]pyridazin-3-one
PubChem CID114268942
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name5-amino-2-[(6-methoxypyridazin-3-yl)methyl]pyridazin-3-one
SMILESCOc1ccc(Cn2ncc(N)cc2=O)nn1
InChIInChI=1S/C10H11N5O2/c1-17-9-3-2-8(13-14-9)6-15-10(16)4-7(11)5-12-15/h2-5H,6,11H2,1H3
InChIKeyALUGENLWKOFBJU-UHFFFAOYSA-N
XLogP-0.33
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(6-methoxypyridazin-3-yl)methyl]pyrazol-4-amine
CID 165473216
5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one
CID 103218397
5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 103218225
5-amino-2-(2-methoxypropyl)pyridazin-3-one
CID 103218443
2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 103218386
5-iodo-2-[(6-methoxy-2-pyridinyl)methyl]pyridazin-3-one
CID 114553619
5-amino-2-(2-methylpropyl)pyridazin-3-one
CID 103218168
5-amino-2-[(5-methyl-3-pyridinyl)methyl]pyridazin-3-one
CID 103218315
5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103218195
5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103218301
5-amino-2-[(2,3-dichlorophenyl)methyl]pyridazin-3-one
CID 107313014
5-amino-2-[(1-methylindazol-3-yl)methyl]pyridazin-3-one
CID 103218230

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(6-methoxypyridazin-3-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-amino-2-[(6-methoxypyridazin-3-yl)methyl]pyridazin-3-one (CID 114268942) is 5-amino-2-[(6-methoxypyridazin-3-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-amino-2-[(6-methoxypyridazin-3-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-amino-2-[(6-methoxypyridazin-3-yl)methyl]pyridazin-3-one is COc1ccc(Cn2ncc(N)cc2=O)nn1.
What is the InChIKey of 5-amino-2-[(6-methoxypyridazin-3-yl)methyl]pyridazin-3-one?
The InChIKey is ALUGENLWKOFBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-17-9-3-2-8(13-14-9)6-15-10(16)4-7(11)5-12-15/h2-5H,6,11H2,1H3.
What are the key properties of 5-amino-2-[(6-methoxypyridazin-3-yl)methyl]pyridazin-3-one?
5-amino-2-[(6-methoxypyridazin-3-yl)methyl]pyridazin-3-one has a molecular weight of 233.23 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(6-methoxypyridazin-3-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 114268942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).