9-chloro-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione

C12H10ClN3O2 — CID 155809683

IUPAC9-chloro-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione
SMILESCc1cc(=O)n2n1-c1ccc(Cl)cc1NC(=O)C2
InChIInChI=1S/C12H10ClN3O2/c1-7-4-12(18)15-6-11(17)14-9-5-8(13)2-3-10(9)16(7)15/h2-5H,6H2,1H3,(H,14,17)
InChIKeyYUVQGRXIFGVFHY-UHFFFAOYSA-N
MW263.68 g/mol
LogP1.55
Rot. Bonds

About 9-chloro-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione

9-chloro-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione (PubChem CID 155809683) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 9-chloro-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione.

Molecular Properties

Compound Name9-chloro-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione
PubChem CID155809683
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name9-chloro-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione
SMILESCc1cc(=O)n2n1-c1ccc(Cl)cc1NC(=O)C2
InChIInChI=1S/C12H10ClN3O2/c1-7-4-12(18)15-6-11(17)14-9-5-8(13)2-3-10(9)16(7)15/h2-5H,6H2,1H3,(H,14,17)
InChIKeyYUVQGRXIFGVFHY-UHFFFAOYSA-N
XLogP1.55
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-chloro-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione with MolForge

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Related Compounds

10-methoxy-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione
CID 155809430
2-(6-chloro-3-oxo-2,4-dihydroquinoxalin-1-yl)acetaldehyde
CID 83849997
1-(4-chloro-2-methylphenyl)imidazolidine-2,4-dione
CID 15382317
4-(2,5-dichlorophenyl)piperazine-2,6-dione
CID 63787851
diethyl 2-[(6-chloro-3-oxo-2,4-dihydroquinoxalin-1-yl)methylidene]propanedioate
CID 139216848
7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097456
4-butan-2-yl-6-chloro-1,3-dihydroquinoxalin-2-one
CID 115472139
4-(2-amino-5-chlorophenyl)piperazine-2,6-dione
CID 115469095
4-(4-chlorophenyl)-7-fluoro-1,3-dihydroquinoxalin-2-one
CID 79291737
4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
CID 28822158
1-(2-aminoethyl)-7-chloro-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 84629565
1-(4-chloro-2-iodophenyl)imidazolidine-2,4-dione
CID 107640384

Frequently Asked Questions

What is the IUPAC name of 9-chloro-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione?
The IUPAC name of 9-chloro-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione (CID 155809683) is 9-chloro-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione.
What is the SMILES notation for 9-chloro-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione?
The canonical SMILES for 9-chloro-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione is Cc1cc(=O)n2n1-c1ccc(Cl)cc1NC(=O)C2.
What is the InChIKey of 9-chloro-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione?
The InChIKey is YUVQGRXIFGVFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-7-4-12(18)15-6-11(17)14-9-5-8(13)2-3-10(9)16(7)15/h2-5H,6H2,1H3,(H,14,17).
What are the key properties of 9-chloro-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione?
9-chloro-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione has a molecular weight of 263.68 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione is sourced from PubChem (CID 155809683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).