1-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one

C17H21N5O2 — CID 97243275

IUPAC1-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one
SMILESCN(Cc1ccccc1)C[C@H](O)Cn1ncc2cnn(C)c(=O)c21
InChIInChI=1S/C17H21N5O2/c1-20(10-13-6-4-3-5-7-13)11-15(23)12-22-16-14(9-19-22)8-18-21(2)17(16)24/h3-9,15,23H,10-12H2,1-2H3/t15-/m0/s1
InChIKeyKFVPUIZCYDMZHJ-HNNXBMFYSA-N
MW327.39 g/mol
LogP0.62
Rot. Bonds6

About 1-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one

1-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one (PubChem CID 97243275) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name1-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one
PubChem CID97243275
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one
SMILESCN(Cc1ccccc1)C[C@H](O)Cn1ncc2cnn(C)c(=O)c21
InChIInChI=1S/C17H21N5O2/c1-20(10-13-6-4-3-5-7-13)11-15(23)12-22-16-14(9-19-22)8-18-21(2)17(16)24/h3-9,15,23H,10-12H2,1-2H3/t15-/m0/s1
InChIKeyKFVPUIZCYDMZHJ-HNNXBMFYSA-N
XLogP0.62
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]-6-methylpyrazolo[4,5-d]pyridazin-7-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

1-[2-hydroxy-3-(2-methylphenoxy)propyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one
CID 109412042
14-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
CID 52841319
3-(6-methyl-7-oxopyrazolo[4,5-d]pyridazin-1-yl)-N-phenylpropanamide
CID 75389472
1-[benzyl(methyl)amino]-3-[ethyl(methyl)amino]propan-2-ol
CID 110929931
1-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one
CID 97327211
1-[(2R)-3-[benzyl(methyl)amino]-2-hydroxypropyl]-5-nitropyridin-2-one
CID 96998510
1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 110929932
1-[3-[benzyl(methyl)amino]-2-hydroxypropyl]-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione
CID 111448473
4-[4-[3-[benzyl(methyl)amino]-2-hydroxypropyl]piperazin-1-yl]benzenesulfonamide
CID 86882570
8-[[benzyl(methyl)amino]methyl]-7-[(2R)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
CID 7137530
4-[2-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 52503296
1-[benzyl(methyl)amino]-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol
CID 111489897

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 1-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one (CID 97243275) is 1-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 1-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 1-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one is CN(Cc1ccccc1)C[C@H](O)Cn1ncc2cnn(C)c(=O)c21.
What is the InChIKey of 1-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one?
The InChIKey is KFVPUIZCYDMZHJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-20(10-13-6-4-3-5-7-13)11-15(23)12-22-16-14(9-19-22)8-18-21(2)17(16)24/h3-9,15,23H,10-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one?
1-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one has a molecular weight of 327.39 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 97243275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).