2,6,6-trimethyl-1-pyridazin-3-yl-5,7-dihydro-4H-indol-4-ol

C15H19N3O — CID 116787763

IUPAC2,6,6-trimethyl-1-pyridazin-3-yl-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc2c(n1-c1cccnn1)CC(C)(C)CC2O
InChIInChI=1S/C15H19N3O/c1-10-7-11-12(8-15(2,3)9-13(11)19)18(10)14-5-4-6-16-17-14/h4-7,13,19H,8-9H2,1-3H3
InChIKeyZZQZXNVBTGTRRF-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.58
Rot. Bonds1

About 2,6,6-trimethyl-1-pyridazin-3-yl-5,7-dihydro-4H-indol-4-ol

2,6,6-trimethyl-1-pyridazin-3-yl-5,7-dihydro-4H-indol-4-ol (PubChem CID 116787763) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-pyridazin-3-yl-5,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name2,6,6-trimethyl-1-pyridazin-3-yl-5,7-dihydro-4H-indol-4-ol
PubChem CID116787763
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2,6,6-trimethyl-1-pyridazin-3-yl-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc2c(n1-c1cccnn1)CC(C)(C)CC2O
InChIInChI=1S/C15H19N3O/c1-10-7-11-12(8-15(2,3)9-13(11)19)18(10)14-5-4-6-16-17-14/h4-7,13,19H,8-9H2,1-3H3
InChIKeyZZQZXNVBTGTRRF-UHFFFAOYSA-N
XLogP2.58
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63465888
1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63464982
2,6,6-trimethyl-1-(5-methyl-3-pyridinyl)-5,7-dihydro-4H-indol-4-ol
CID 107586552
1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63466063
1-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 115408512
4-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one
CID 106188086
2,6,6-trimethyl-1-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol
CID 62640256
2-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)-3-methylbutanamide
CID 106347058
2-methyl-1-pyridazin-3-yl-6,7-dihydro-5H-indol-4-one
CID 116787754
2,6,6-trimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydro-4H-indol-4-ol
CID 62639906
2,6,6-trimethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-ol
CID 64529978
2,6,6-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-4H-indol-4-ol
CID 63826731

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-pyridazin-3-yl-5,7-dihydro-4H-indol-4-ol?
The IUPAC name of 2,6,6-trimethyl-1-pyridazin-3-yl-5,7-dihydro-4H-indol-4-ol (CID 116787763) is 2,6,6-trimethyl-1-pyridazin-3-yl-5,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 2,6,6-trimethyl-1-pyridazin-3-yl-5,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 2,6,6-trimethyl-1-pyridazin-3-yl-5,7-dihydro-4H-indol-4-ol is Cc1cc2c(n1-c1cccnn1)CC(C)(C)CC2O.
What is the InChIKey of 2,6,6-trimethyl-1-pyridazin-3-yl-5,7-dihydro-4H-indol-4-ol?
The InChIKey is ZZQZXNVBTGTRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-7-11-12(8-15(2,3)9-13(11)19)18(10)14-5-4-6-16-17-14/h4-7,13,19H,8-9H2,1-3H3.
What are the key properties of 2,6,6-trimethyl-1-pyridazin-3-yl-5,7-dihydro-4H-indol-4-ol?
2,6,6-trimethyl-1-pyridazin-3-yl-5,7-dihydro-4H-indol-4-ol has a molecular weight of 257.34 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-pyridazin-3-yl-5,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 116787763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).