3,3-dimethyl-11-phenyl-4,11-dihydro-2H-pyridazino[1,2-a]indazole-1,6,9-trione

C19H18N2O3 — CID 25111562

IUPAC3,3-dimethyl-11-phenyl-4,11-dihydro-2H-pyridazino[1,2-a]indazole-1,6,9-trione
SMILESCC1(C)CC(=O)C2=C(C1)n1c(=O)ccc(=O)n1C2c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-19(2)10-13-17(14(22)11-19)18(12-6-4-3-5-7-12)21-16(24)9-8-15(23)20(13)21/h3-9,18H,10-11H2,1-2H3
InChIKeyIAVMRWOQJDJAFJ-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.21
Rot. Bonds1

About 3,3-dimethyl-11-phenyl-4,11-dihydro-2H-pyridazino[1,2-a]indazole-1,6,9-trione

3,3-dimethyl-11-phenyl-4,11-dihydro-2H-pyridazino[1,2-a]indazole-1,6,9-trione (PubChem CID 25111562) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3,3-dimethyl-11-phenyl-4,11-dihydro-2H-pyridazino[1,2-a]indazole-1,6,9-trione.

Molecular Properties

Compound Name3,3-dimethyl-11-phenyl-4,11-dihydro-2H-pyridazino[1,2-a]indazole-1,6,9-trione
PubChem CID25111562
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3,3-dimethyl-11-phenyl-4,11-dihydro-2H-pyridazino[1,2-a]indazole-1,6,9-trione
SMILESCC1(C)CC(=O)C2=C(C1)n1c(=O)ccc(=O)n1C2c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-19(2)10-13-17(14(22)11-19)18(12-6-4-3-5-7-12)21-16(24)9-8-15(23)20(13)21/h3-9,18H,10-11H2,1-2H3
InChIKeyIAVMRWOQJDJAFJ-UHFFFAOYSA-N
XLogP2.21
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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(6R)-9,9-dimethyl-7-oxo-6-phenyl-N-propyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carboxamide
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10-(2-methoxyphenyl)-9-[4-[10-(2-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 53232693

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-11-phenyl-4,11-dihydro-2H-pyridazino[1,2-a]indazole-1,6,9-trione?
The IUPAC name of 3,3-dimethyl-11-phenyl-4,11-dihydro-2H-pyridazino[1,2-a]indazole-1,6,9-trione (CID 25111562) is 3,3-dimethyl-11-phenyl-4,11-dihydro-2H-pyridazino[1,2-a]indazole-1,6,9-trione.
What is the SMILES notation for 3,3-dimethyl-11-phenyl-4,11-dihydro-2H-pyridazino[1,2-a]indazole-1,6,9-trione?
The canonical SMILES for 3,3-dimethyl-11-phenyl-4,11-dihydro-2H-pyridazino[1,2-a]indazole-1,6,9-trione is CC1(C)CC(=O)C2=C(C1)n1c(=O)ccc(=O)n1C2c1ccccc1.
What is the InChIKey of 3,3-dimethyl-11-phenyl-4,11-dihydro-2H-pyridazino[1,2-a]indazole-1,6,9-trione?
The InChIKey is IAVMRWOQJDJAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-19(2)10-13-17(14(22)11-19)18(12-6-4-3-5-7-12)21-16(24)9-8-15(23)20(13)21/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 3,3-dimethyl-11-phenyl-4,11-dihydro-2H-pyridazino[1,2-a]indazole-1,6,9-trione?
3,3-dimethyl-11-phenyl-4,11-dihydro-2H-pyridazino[1,2-a]indazole-1,6,9-trione has a molecular weight of 322.36 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-11-phenyl-4,11-dihydro-2H-pyridazino[1,2-a]indazole-1,6,9-trione is sourced from PubChem (CID 25111562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).