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

C14H16N4O — CID 148776849

IUPAC5-methyl-4-[4-(methylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
SMILESCNc1cccc2c1CN(c1cn[nH]c(=O)c1C)C2
InChIInChI=1S/C14H16N4O/c1-9-13(6-16-17-14(9)19)18-7-10-4-3-5-12(15-2)11(10)8-18/h3-6,15H,7-8H2,1-2H3,(H,17,19)
InChIKeyOJNOHXXMAXOPSF-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.64
Rot. Bonds2

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

5-methyl-4-[4-(methylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one (PubChem CID 148776849) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-methyl-4-[4-(methylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-methyl-4-[4-(methylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
PubChem CID148776849
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-methyl-4-[4-(methylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
SMILESCNc1cccc2c1CN(c1cn[nH]c(=O)c1C)C2
InChIInChI=1S/C14H16N4O/c1-9-13(6-16-17-14(9)19)18-7-10-4-3-5-12(15-2)11(10)8-18/h3-6,15H,7-8H2,1-2H3,(H,17,19)
InChIKeyOJNOHXXMAXOPSF-UHFFFAOYSA-N
XLogP1.64
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-(methylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-methyl-4-[4-(methylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one (CID 148776849) is 5-methyl-4-[4-(methylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-methyl-4-[4-(methylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-methyl-4-[4-(methylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one is CNc1cccc2c1CN(c1cn[nH]c(=O)c1C)C2.
What is the InChIKey of 5-methyl-4-[4-(methylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one?
The InChIKey is OJNOHXXMAXOPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-13(6-16-17-14(9)19)18-7-10-4-3-5-12(15-2)11(10)8-18/h3-6,15H,7-8H2,1-2H3,(H,17,19).
What are the key properties of 5-methyl-4-[4-(methylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one?
5-methyl-4-[4-(methylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one has a molecular weight of 256.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-(methylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 148776849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).