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

C18H22N4O2 — CID 159802367

IUPAC5-methyl-4-[4-(oxolan-2-ylmethylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
SMILESCc1c(N2Cc3cccc(NCC4CCCO4)c3C2)cn[nH]c1=O
InChIInChI=1S/C18H22N4O2/c1-12-17(9-20-21-18(12)23)22-10-13-4-2-6-16(15(13)11-22)19-8-14-5-3-7-24-14/h2,4,6,9,14,19H,3,5,7-8,10-11H2,1H3,(H,21,23)
InChIKeyNJYLYSVWQLPDLS-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.19
Rot. Bonds4

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

5-methyl-4-[4-(oxolan-2-ylmethylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one (PubChem CID 159802367) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-methyl-4-[4-(oxolan-2-ylmethylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-methyl-4-[4-(oxolan-2-ylmethylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
PubChem CID159802367
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-methyl-4-[4-(oxolan-2-ylmethylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
SMILESCc1c(N2Cc3cccc(NCC4CCCO4)c3C2)cn[nH]c1=O
InChIInChI=1S/C18H22N4O2/c1-12-17(9-20-21-18(12)23)22-10-13-4-2-6-16(15(13)11-22)19-8-14-5-3-7-24-14/h2,4,6,9,14,19H,3,5,7-8,10-11H2,1H3,(H,21,23)
InChIKeyNJYLYSVWQLPDLS-UHFFFAOYSA-N
XLogP2.19
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-4-[4-(oxolan-2-ylmethylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one with MolForge

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Related Compounds

5-methyl-4-[4-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
CID 157069642
5-chloro-4-(oxan-2-ylmethylamino)-1H-pyridazin-6-one
CID 47407222
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976
2-methyl-3-nitro-N-(oxolan-2-ylmethyl)aniline
CID 60721681
5-nitro-N-(oxolan-2-ylmethyl)-1H-pyrazol-4-amine
CID 82238079
4-(1,4-dimethyl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one
CID 159329756
N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82835843
N-(oxolan-2-ylmethyl)isoquinolin-5-amine
CID 82834072
2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 43115525
2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine
CID 115585307
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252548

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-(oxolan-2-ylmethylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-methyl-4-[4-(oxolan-2-ylmethylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one (CID 159802367) is 5-methyl-4-[4-(oxolan-2-ylmethylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-methyl-4-[4-(oxolan-2-ylmethylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-methyl-4-[4-(oxolan-2-ylmethylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one is Cc1c(N2Cc3cccc(NCC4CCCO4)c3C2)cn[nH]c1=O.
What is the InChIKey of 5-methyl-4-[4-(oxolan-2-ylmethylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one?
The InChIKey is NJYLYSVWQLPDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-17(9-20-21-18(12)23)22-10-13-4-2-6-16(15(13)11-22)19-8-14-5-3-7-24-14/h2,4,6,9,14,19H,3,5,7-8,10-11H2,1H3,(H,21,23).
What are the key properties of 5-methyl-4-[4-(oxolan-2-ylmethylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one?
5-methyl-4-[4-(oxolan-2-ylmethylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one has a molecular weight of 326.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-(oxolan-2-ylmethylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 159802367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).