4-amino-1,6-dimethylpyrazolo[4,5-d]pyridazin-7-one;ethane

C9H15N5O — CID 145119909

IUPAC4-amino-1,6-dimethylpyrazolo[4,5-d]pyridazin-7-one;ethane
SMILESCC.Cn1nc(N)c2cnn(C)c2c1=O
InChIInChI=1S/C7H9N5O.C2H6/c1-11-5-4(3-9-11)6(8)10-12(2)7(5)13;1-2/h3H,1-2H3,(H2,8,10);1-2H3
InChIKeyJRYIICNUPLJWEA-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.28
Rot. Bonds

About 4-amino-1,6-dimethylpyrazolo[4,5-d]pyridazin-7-one;ethane

4-amino-1,6-dimethylpyrazolo[4,5-d]pyridazin-7-one;ethane (PubChem CID 145119909) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-amino-1,6-dimethylpyrazolo[4,5-d]pyridazin-7-one;ethane.

Molecular Properties

Compound Name4-amino-1,6-dimethylpyrazolo[4,5-d]pyridazin-7-one;ethane
PubChem CID145119909
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name4-amino-1,6-dimethylpyrazolo[4,5-d]pyridazin-7-one;ethane
SMILESCC.Cn1nc(N)c2cnn(C)c2c1=O
InChIInChI=1S/C7H9N5O.C2H6/c1-11-5-4(3-9-11)6(8)10-12(2)7(5)13;1-2/h3H,1-2H3,(H2,8,10);1-2H3
InChIKeyJRYIICNUPLJWEA-UHFFFAOYSA-N
XLogP0.28
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrazole-3,4-dicarboxamide, N,N',1-trimethyl-
CID 210532
Etipirol
CID 166751
1-tert-butyl-4-methyl-1,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one
CID 33677361
4-iodo-1-methyl-1H-pyrazole-5-carboxamide
CID 3753008
2-methyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one
CID 75468810
3-(aminomethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
CID 138991240
3-ethynyl-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
CID 168492430
1-ethyl-4,5-di(N-methylcarbamoyl)pyrazole
CID 193506
1-allyl-4,5-di(N-methylcarbamoyl)pyrazole
CID 3082188
1-(tert-butyl)-4,6-dimethyl-1H-pyrazolo[3,4-d]pyridazin-7(6H)-one
CID 44036824
2-(1-(tert-butyl)-4-methyl-7-oxo-1H-pyrazolo[3,4-d]pyridazin-6(7H)-yl)acetamide
CID 44036829
4-iodo-N,1-dimethylpyrazole-5-carboxamide
CID 19476262

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,6-dimethylpyrazolo[4,5-d]pyridazin-7-one;ethane?
The IUPAC name of 4-amino-1,6-dimethylpyrazolo[4,5-d]pyridazin-7-one;ethane (CID 145119909) is 4-amino-1,6-dimethylpyrazolo[4,5-d]pyridazin-7-one;ethane.
What is the SMILES notation for 4-amino-1,6-dimethylpyrazolo[4,5-d]pyridazin-7-one;ethane?
The canonical SMILES for 4-amino-1,6-dimethylpyrazolo[4,5-d]pyridazin-7-one;ethane is CC.Cn1nc(N)c2cnn(C)c2c1=O.
What is the InChIKey of 4-amino-1,6-dimethylpyrazolo[4,5-d]pyridazin-7-one;ethane?
The InChIKey is JRYIICNUPLJWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O.C2H6/c1-11-5-4(3-9-11)6(8)10-12(2)7(5)13;1-2/h3H,1-2H3,(H2,8,10);1-2H3.
What are the key properties of 4-amino-1,6-dimethylpyrazolo[4,5-d]pyridazin-7-one;ethane?
4-amino-1,6-dimethylpyrazolo[4,5-d]pyridazin-7-one;ethane has a molecular weight of 209.25 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,6-dimethylpyrazolo[4,5-d]pyridazin-7-one;ethane is sourced from PubChem (CID 145119909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).