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

C11H12N4O — CID 103218315

IUPAC5-amino-2-[(5-methyl-3-pyridinyl)methyl]pyridazin-3-one
SMILESCc1cncc(Cn2ncc(N)cc2=O)c1
InChIInChI=1S/C11H12N4O/c1-8-2-9(5-13-4-8)7-15-11(16)3-10(12)6-14-15/h2-6H,7,12H2,1H3
InChIKeyMXUIOKPRQNPTBO-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.58
Rot. Bonds2

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

5-amino-2-[(5-methyl-3-pyridinyl)methyl]pyridazin-3-one (PubChem CID 103218315) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-amino-2-[(5-methyl-3-pyridinyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[(5-methyl-3-pyridinyl)methyl]pyridazin-3-one
PubChem CID103218315
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name5-amino-2-[(5-methyl-3-pyridinyl)methyl]pyridazin-3-one
SMILESCc1cncc(Cn2ncc(N)cc2=O)c1
InChIInChI=1S/C11H12N4O/c1-8-2-9(5-13-4-8)7-15-11(16)3-10(12)6-14-15/h2-6H,7,12H2,1H3
InChIKeyMXUIOKPRQNPTBO-UHFFFAOYSA-N
XLogP0.58
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 103218225
5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one
CID 103218397
2-[(2-amino-4-pyridinyl)methyl]-5-methylpyridazin-3-one
CID 106549024
5-amino-2-(2-methylpropyl)pyridazin-3-one
CID 103218168
5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103218195
5-(2-aminoethoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 103222695
5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103218301
1-[(5-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
CID 102881131
5-amino-2-[(1-methylindazol-3-yl)methyl]pyridazin-3-one
CID 103218230
5-(2-aminopropoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 103222940
5-amino-2-[(6-methoxypyridazin-3-yl)methyl]pyridazin-3-one
CID 114268942
5-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 103218206

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(5-methyl-3-pyridinyl)methyl]pyridazin-3-one?
The IUPAC name of 5-amino-2-[(5-methyl-3-pyridinyl)methyl]pyridazin-3-one (CID 103218315) is 5-amino-2-[(5-methyl-3-pyridinyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-amino-2-[(5-methyl-3-pyridinyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-amino-2-[(5-methyl-3-pyridinyl)methyl]pyridazin-3-one is Cc1cncc(Cn2ncc(N)cc2=O)c1.
What is the InChIKey of 5-amino-2-[(5-methyl-3-pyridinyl)methyl]pyridazin-3-one?
The InChIKey is MXUIOKPRQNPTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-2-9(5-13-4-8)7-15-11(16)3-10(12)6-14-15/h2-6H,7,12H2,1H3.
What are the key properties of 5-amino-2-[(5-methyl-3-pyridinyl)methyl]pyridazin-3-one?
5-amino-2-[(5-methyl-3-pyridinyl)methyl]pyridazin-3-one has a molecular weight of 216.24 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(5-methyl-3-pyridinyl)methyl]pyridazin-3-one is sourced from PubChem (CID 103218315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).