10-methoxy-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione

C13H13N3O3 — CID 155809430

IUPAC10-methoxy-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione
SMILESCOc1ccc2c(c1)-n1c(C)cc(=O)n1CC(=O)N2
InChIInChI=1S/C13H13N3O3/c1-8-5-13(18)15-7-12(17)14-10-4-3-9(19-2)6-11(10)16(8)15/h3-6H,7H2,1-2H3,(H,14,17)
InChIKeyGSKRBAZLXGPSFX-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.91
Rot. Bonds1

About 10-methoxy-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione

10-methoxy-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione (PubChem CID 155809430) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 10-methoxy-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione.

Molecular Properties

Compound Name10-methoxy-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione
PubChem CID155809430
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name10-methoxy-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione
SMILESCOc1ccc2c(c1)-n1c(C)cc(=O)n1CC(=O)N2
InChIInChI=1S/C13H13N3O3/c1-8-5-13(18)15-7-12(17)14-10-4-3-9(19-2)6-11(10)16(8)15/h3-6H,7H2,1-2H3,(H,14,17)
InChIKeyGSKRBAZLXGPSFX-UHFFFAOYSA-N
XLogP0.91
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10-methoxy-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione with MolForge

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Related Compounds

9-chloro-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione
CID 155809683
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1-(2,5-dimethoxyphenyl)imidazolidine-2,4-dione
CID 4770213
2-(3,5-dioxopiperazin-1-yl)-4-methoxybenzonitrile
CID 81306288
ethyl 12-methoxy-7-oxo-2,3,8-triazatricyclo[7.4.0.02,5]trideca-1(9),4,10,12-tetraene-4-carboxylate
CID 166956303
7-methoxy-5-prop-2-enoyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 139015344
4-(2-chloro-5-methoxyphenyl)-1H-tetrazol-5-one
CID 136670083
4-(2,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16864034
10-methoxy-1-methyl-1,5,7,11b-tetrahydrotriazolo[1,5-d][1,4]benzodiazepin-6-one
CID 67695679
4-(1-cyclopentyltriazole-4-carbonyl)-6-methoxy-1,3-dihydroquinoxalin-2-one
CID 166360534
4-(2-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 24568356
7-methoxy-1-oxo-4H-1λ4,4-benzothiazin-3-one
CID 105356975

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione?
The IUPAC name of 10-methoxy-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione (CID 155809430) is 10-methoxy-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione.
What is the SMILES notation for 10-methoxy-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione?
The canonical SMILES for 10-methoxy-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione is COc1ccc2c(c1)-n1c(C)cc(=O)n1CC(=O)N2.
What is the InChIKey of 10-methoxy-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione?
The InChIKey is GSKRBAZLXGPSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8-5-13(18)15-7-12(17)14-10-4-3-9(19-2)6-11(10)16(8)15/h3-6H,7H2,1-2H3,(H,14,17).
What are the key properties of 10-methoxy-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione?
10-methoxy-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione has a molecular weight of 259.26 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione is sourced from PubChem (CID 155809430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).