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Azapropazone

C16H20N4O2 — CID 26098

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-(dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione
SMILESCCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O
InChIInChI=1S/C16H20N4O2/c1-5-6-11-14(21)19-13-9-10(2)7-8-12(13)17-16(18(3)4)20(19)15(11)22/h7-9,11H,5-6H2,1-4H3
InChIKeyMPHPHYZQRGLTBO-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.06
Rot. Bonds2

About Azapropazone

Azapropazone (PubChem CID 26098) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-(dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione.

Molecular Properties

Compound NameAzapropazone
PubChem CID26098
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name5-(dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione
SMILESCCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O
InChIInChI=1S/C16H20N4O2/c1-5-6-11-14(21)19-13-9-10(2)7-8-12(13)17-16(18(3)4)20(19)15(11)22/h7-9,11H,5-6H2,1-4H3
InChIKeyMPHPHYZQRGLTBO-UHFFFAOYSA-N
XLogP2.06
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1H-Pyrazolo(1,2-A)(1,2,4)benzotriazine-1,3(2H)-dione, 5-(dimethylamino)-9-methyl-2-propyl-, (R)-
CID 6604340
Azapropazone sodium
CID 21123510
(2S)-5-(dimethylamino)-9-methyl-2-prop-2-enylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione
CID 46937068
Apazone, (S)-
CID 57417511
5-(Dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione;4-(3-methylbut-2-enyl)-1,2-diphenylpyrazolidine-3,5-dione
CID 66686566
9-Methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione
CID 70446063
CID 70531023
CID 70531023
Sodium;5-(dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione;hydride
CID 173364643
Bis(3,4-dihydropyrazol-2-yl)methanone;5-(dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione
CID 174658213
5-(Dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione;pyrazol-3-one
CID 174843313

Frequently Asked Questions

What is the IUPAC name of Azapropazone?
The IUPAC name of Azapropazone (CID 26098) is 5-(dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione.
What is the SMILES notation for Azapropazone?
The canonical SMILES for Azapropazone is CCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O.
What is the InChIKey of Azapropazone?
The InChIKey is MPHPHYZQRGLTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-5-6-11-14(21)19-13-9-10(2)7-8-12(13)17-16(18(3)4)20(19)15(11)22/h7-9,11H,5-6H2,1-4H3.
What are the key properties of Azapropazone?
Azapropazone has a molecular weight of 300.36 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Azapropazone is sourced from PubChem (CID 26098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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