5-(dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione

C16H20N4O2 — CID 26098

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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 5-(dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione

5-(dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione (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 Name5-(dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione
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

Apazone Dihydrate
CID 90763
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
Azapropazone hydrochloride
CID 129703004
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 5-(dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione?
The IUPAC name of 5-(dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione (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 5-(dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione?
The canonical SMILES for 5-(dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione is CCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O.
What is the InChIKey of 5-(dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione?
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 5-(dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione?
5-(dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione 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 5-(dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione is sourced from PubChem (CID 26098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).