2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-6-methylpyridazin-3-one

C12H13N7O — CID 63220960

IUPAC2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(Cc2nc(N)c3cnn(C)c3n2)n1
InChIInChI=1S/C12H13N7O/c1-7-3-4-10(20)19(17-7)6-9-15-11(13)8-5-14-18(2)12(8)16-9/h3-5H,6H2,1-2H3,(H2,13,15,16)
InChIKeyHXAQHQVLGDWAEF-UHFFFAOYSA-N
MW271.28 g/mol
LogP-0.14
Rot. Bonds2

About 2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-6-methylpyridazin-3-one

2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-6-methylpyridazin-3-one (PubChem CID 63220960) has the molecular formula C12H13N7O and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-6-methylpyridazin-3-one
PubChem CID63220960
Molecular FormulaC12H13N7O
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(Cc2nc(N)c3cnn(C)c3n2)n1
InChIInChI=1S/C12H13N7O/c1-7-3-4-10(20)19(17-7)6-9-15-11(13)8-5-14-18(2)12(8)16-9/h3-5H,6H2,1-2H3,(H2,13,15,16)
InChIKeyHXAQHQVLGDWAEF-UHFFFAOYSA-N
XLogP-0.14
TPSA104.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-6-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-6-methylpyrimidin-4-one
CID 63221231
3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methyl-1,3-thiazol-2-one
CID 63221500
3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1-methylimidazolidine-2,4-dione
CID 63221411
2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpyridazin-3-one
CID 62922151
1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220955
1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methylpiperazine-2,3-dione
CID 63220958
1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-5-chloropyrimidine-2,4-dione
CID 66424391
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-6-methylpyridazin-3-one
CID 80664851
1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221328
6-[(2-ethylimidazol-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 55163901
6-[[3-methoxypropyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 55161566
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyridazin-3-one
CID 62923563

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-6-methylpyridazin-3-one (CID 63220960) is 2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(Cc2nc(N)c3cnn(C)c3n2)n1.
What is the InChIKey of 2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-6-methylpyridazin-3-one?
The InChIKey is HXAQHQVLGDWAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7O/c1-7-3-4-10(20)19(17-7)6-9-15-11(13)8-5-14-18(2)12(8)16-9/h3-5H,6H2,1-2H3,(H2,13,15,16).
What are the key properties of 2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-6-methylpyridazin-3-one?
2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-6-methylpyridazin-3-one has a molecular weight of 271.28 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 63220960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).