6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindol-4-one

C14H15N3O — CID 116787757

IUPAC6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2ccn(-c3cccnn3)c2C1
InChIInChI=1S/C14H15N3O/c1-14(2)8-11-10(12(18)9-14)5-7-17(11)13-4-3-6-15-16-13/h3-7H,8-9H2,1-2H3
InChIKeyCPDOCKLHIHAKRK-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.42
Rot. Bonds1

About 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindol-4-one

6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindol-4-one (PubChem CID 116787757) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindol-4-one
PubChem CID116787757
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2ccn(-c3cccnn3)c2C1
InChIInChI=1S/C14H15N3O/c1-14(2)8-11-10(12(18)9-14)5-7-17(11)13-4-3-6-15-16-13/h3-7H,8-9H2,1-2H3
InChIKeyCPDOCKLHIHAKRK-UHFFFAOYSA-N
XLogP2.42
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindol-4-one?
The IUPAC name of 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindol-4-one (CID 116787757) is 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindol-4-one.
What is the SMILES notation for 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindol-4-one?
The canonical SMILES for 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindol-4-one is CC1(C)CC(=O)c2ccn(-c3cccnn3)c2C1.
What is the InChIKey of 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindol-4-one?
The InChIKey is CPDOCKLHIHAKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-14(2)8-11-10(12(18)9-14)5-7-17(11)13-4-3-6-15-16-13/h3-7H,8-9H2,1-2H3.
What are the key properties of 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindol-4-one?
6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindol-4-one has a molecular weight of 241.29 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindol-4-one is sourced from PubChem (CID 116787757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).