4-(1,4-dimethyl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one

C15H17N3O — CID 159329756

IUPAC4-(1,4-dimethyl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one
SMILESCc1cccc2c1CN(c1cn[nH]c(=O)c1C)C2C
InChIInChI=1S/C15H17N3O/c1-9-5-4-6-12-11(3)18(8-13(9)12)14-7-16-17-15(19)10(14)2/h4-7,11H,8H2,1-3H3,(H,17,19)
InChIKeyLEVDMHHYOWJVNY-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.47
Rot. Bonds1

About 4-(1,4-dimethyl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one

4-(1,4-dimethyl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one (PubChem CID 159329756) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(1,4-dimethyl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(1,4-dimethyl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one
PubChem CID159329756
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(1,4-dimethyl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one
SMILESCc1cccc2c1CN(c1cn[nH]c(=O)c1C)C2C
InChIInChI=1S/C15H17N3O/c1-9-5-4-6-12-11(3)18(8-13(9)12)14-7-16-17-15(19)10(14)2/h4-7,11H,8H2,1-3H3,(H,17,19)
InChIKeyLEVDMHHYOWJVNY-UHFFFAOYSA-N
XLogP2.47
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dimethyl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one?
The IUPAC name of 4-(1,4-dimethyl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one (CID 159329756) is 4-(1,4-dimethyl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-(1,4-dimethyl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one?
The canonical SMILES for 4-(1,4-dimethyl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one is Cc1cccc2c1CN(c1cn[nH]c(=O)c1C)C2C.
What is the InChIKey of 4-(1,4-dimethyl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one?
The InChIKey is LEVDMHHYOWJVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9-5-4-6-12-11(3)18(8-13(9)12)14-7-16-17-15(19)10(14)2/h4-7,11H,8H2,1-3H3,(H,17,19).
What are the key properties of 4-(1,4-dimethyl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one?
4-(1,4-dimethyl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one has a molecular weight of 255.32 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dimethyl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 159329756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).