5-amino-2-[(1-methylindazol-3-yl)methyl]pyridazin-3-one

C13H13N5O — CID 103218230

IUPAC5-amino-2-[(1-methylindazol-3-yl)methyl]pyridazin-3-one
SMILESCn1nc(Cn2ncc(N)cc2=O)c2ccccc21
InChIInChI=1S/C13H13N5O/c1-17-12-5-3-2-4-10(12)11(16-17)8-18-13(19)6-9(14)7-15-18/h2-7H,8,14H2,1H3
InChIKeyBZHBYYYKZIPDLW-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.76
Rot. Bonds2

About 5-amino-2-[(1-methylindazol-3-yl)methyl]pyridazin-3-one

5-amino-2-[(1-methylindazol-3-yl)methyl]pyridazin-3-one (PubChem CID 103218230) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-amino-2-[(1-methylindazol-3-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[(1-methylindazol-3-yl)methyl]pyridazin-3-one
PubChem CID103218230
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name5-amino-2-[(1-methylindazol-3-yl)methyl]pyridazin-3-one
SMILESCn1nc(Cn2ncc(N)cc2=O)c2ccccc21
InChIInChI=1S/C13H13N5O/c1-17-12-5-3-2-4-10(12)11(16-17)8-18-13(19)6-9(14)7-15-18/h2-7H,8,14H2,1H3
InChIKeyBZHBYYYKZIPDLW-UHFFFAOYSA-N
XLogP0.76
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-[(1-methylindazol-3-yl)methyl]pyridin-4-one
CID 82990279
5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103218195
3-(hydroxymethyl)-1-methylcinnolin-4-one
CID 146273562
5-iodo-4-methyl-1-[(1-methylindazol-3-yl)methyl]pyridin-2-one
CID 79784917
5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 103218225
3-[(1-methylindazol-3-yl)methylsulfinyl]aniline
CID 81180013
2-(1-methylindazol-3-yl)acetamide
CID 67465474
5-amino-2-[(5-methyl-3-pyridinyl)methyl]pyridazin-3-one
CID 103218315
1-(5-amino-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone
CID 116605215
4-methyl-2-[(1-methylindazol-3-yl)methylsulfinyl]aniline
CID 81192606
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
5-iodo-6-methyl-3-[(1-methylindazol-3-yl)methyl]pyrimidin-4-one
CID 66342435

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(1-methylindazol-3-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-amino-2-[(1-methylindazol-3-yl)methyl]pyridazin-3-one (CID 103218230) is 5-amino-2-[(1-methylindazol-3-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-amino-2-[(1-methylindazol-3-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-amino-2-[(1-methylindazol-3-yl)methyl]pyridazin-3-one is Cn1nc(Cn2ncc(N)cc2=O)c2ccccc21.
What is the InChIKey of 5-amino-2-[(1-methylindazol-3-yl)methyl]pyridazin-3-one?
The InChIKey is BZHBYYYKZIPDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-17-12-5-3-2-4-10(12)11(16-17)8-18-13(19)6-9(14)7-15-18/h2-7H,8,14H2,1H3.
What are the key properties of 5-amino-2-[(1-methylindazol-3-yl)methyl]pyridazin-3-one?
5-amino-2-[(1-methylindazol-3-yl)methyl]pyridazin-3-one has a molecular weight of 255.28 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(1-methylindazol-3-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103218230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).