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

C14H16N4O — CID 162128957

IUPAC4-[1-(aminomethyl)-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one
SMILESCc1c(N2Cc3ccccc3C2CN)cn[nH]c1=O
InChIInChI=1S/C14H16N4O/c1-9-13(7-16-17-14(9)19)18-8-10-4-2-3-5-11(10)12(18)6-15/h2-5,7,12H,6,8,15H2,1H3,(H,17,19)
InChIKeyZIKKKFVZILZEAJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.10
Rot. Bonds2

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

4-[1-(aminomethyl)-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one (PubChem CID 162128957) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[1-(aminomethyl)-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one
PubChem CID162128957
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-[1-(aminomethyl)-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one
SMILESCc1c(N2Cc3ccccc3C2CN)cn[nH]c1=O
InChIInChI=1S/C14H16N4O/c1-9-13(7-16-17-14(9)19)18-8-10-4-2-3-5-11(10)12(18)6-15/h2-5,7,12H,6,8,15H2,1H3,(H,17,19)
InChIKeyZIKKKFVZILZEAJ-UHFFFAOYSA-N
XLogP1.10
TPSA75.01 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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dimethyl-5-[(2-methylphenyl)methylamino]pyridazin-3-one
CID 156017982
5-bromo-4-[(2R)-2-methyl-4-[(2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138471562
5-bromo-4-[(2S)-2-methyl-4-[(2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138472070
4-Methyl-5-[4-[(2-methylphenyl)methyl]-3-oxo-1-piperazinyl]-3(2H)-pyridazinone
CID 138472270
5-bromo-4-[3-[(2-methylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-1H-pyridazin-6-one
CID 138484378
2-[2-(1,3-dihydro-2H-isoindol-2-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3(2H)-one
CID 72853306
5-ethyl-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 155536492
5-bromo-4-[3-methyl-4-[(2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 155560733
N-{2-[benzyl(ethyl)amino]ethyl}-1-(6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinecarboxamide
CID 91909568
5-(difluoromethyl)-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138483762
5-(2,2-difluoroethyl)-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138483763
5-chloro-4-[1-[[2-(trifluoromethyl)phenyl]methyl]-3,4,6,7-tetrahydro-2H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 138483880

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one?
The IUPAC name of 4-[1-(aminomethyl)-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one (CID 162128957) is 4-[1-(aminomethyl)-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[1-(aminomethyl)-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one?
The canonical SMILES for 4-[1-(aminomethyl)-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one is Cc1c(N2Cc3ccccc3C2CN)cn[nH]c1=O.
What is the InChIKey of 4-[1-(aminomethyl)-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one?
The InChIKey is ZIKKKFVZILZEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-13(7-16-17-14(9)19)18-8-10-4-2-3-5-11(10)12(18)6-15/h2-5,7,12H,6,8,15H2,1H3,(H,17,19).
What are the key properties of 4-[1-(aminomethyl)-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one?
4-[1-(aminomethyl)-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one has a molecular weight of 256.31 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 162128957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).