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

C13H14N4O — CID 103294189

IUPAC6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one
SMILESCC1(C)CC(=O)c2cnn(-c3cccnn3)c2C1
InChIInChI=1S/C13H14N4O/c1-13(2)6-10-9(11(18)7-13)8-15-17(10)12-4-3-5-14-16-12/h3-5,8H,6-7H2,1-2H3
InChIKeyNKGHAJKDNUNEHS-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.82
Rot. Bonds1

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

6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one (PubChem CID 103294189) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one
PubChem CID103294189
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one
SMILESCC1(C)CC(=O)c2cnn(-c3cccnn3)c2C1
InChIInChI=1S/C13H14N4O/c1-13(2)6-10-9(11(18)7-13)8-15-17(10)12-4-3-5-14-16-12/h3-5,8H,6-7H2,1-2H3
InChIKeyNKGHAJKDNUNEHS-UHFFFAOYSA-N
XLogP1.82
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindol-4-one
CID 116787757
4-(6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzonitrile
CID 65356247
3-amino-4-(6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl)-N-methylbenzamide
CID 139212995
1-[4-(2,2-dimethylbutanoyl)phenyl]-6,6-dimethyl-5,7-dihydroindazol-4-one
CID 130220512
1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one
CID 65356803
7,7-dimethyl-2,5-dioxo-1-pyridin-3-yl-6,8-dihydroquinoline-3-carboxylic acid
CID 130447834
2,6,6-trimethyl-1-(1,2,4-triazin-3-yl)-5,7-dihydroindol-4-one
CID 114389230
8,8-dimethyl-3-phenyl-4,5,7,9-tetrahydropyrazolo[1,5-a]quinazolin-6-one
CID 137234334
6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one
CID 50741940
8,8-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 22587290
2-methyl-1-pyridazin-3-yl-6,7-dihydro-5H-indol-4-one
CID 116787754
1-(1H-imidazol-2-yl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 63563385

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one?
The IUPAC name of 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one (CID 103294189) is 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one.
What is the SMILES notation for 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one?
The canonical SMILES for 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one is CC1(C)CC(=O)c2cnn(-c3cccnn3)c2C1.
What is the InChIKey of 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one?
The InChIKey is NKGHAJKDNUNEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-13(2)6-10-9(11(18)7-13)8-15-17(10)12-4-3-5-14-16-12/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one?
6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one has a molecular weight of 242.28 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one is sourced from PubChem (CID 103294189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).