8-benzyl-6-methylidene-2-morpholin-4-yl-7H-imidazo[1,2-a][1,3,5]triazin-4-one

C17H19N5O2 — CID 50915897

IUPAC8-benzyl-6-methylidene-2-morpholin-4-yl-7H-imidazo[1,2-a][1,3,5]triazin-4-one
SMILESC=C1CN(Cc2ccccc2)c2nc(N3CCOCC3)nc(=O)n21
InChIInChI=1S/C17H19N5O2/c1-13-11-21(12-14-5-3-2-4-6-14)16-18-15(19-17(23)22(13)16)20-7-9-24-10-8-20/h2-6H,1,7-12H2
InChIKeyNTGJLAKUWIOGBL-UHFFFAOYSA-N
MW325.37 g/mol
LogP0.97
Rot. Bonds3

About 8-benzyl-6-methylidene-2-morpholin-4-yl-7H-imidazo[1,2-a][1,3,5]triazin-4-one

8-benzyl-6-methylidene-2-morpholin-4-yl-7H-imidazo[1,2-a][1,3,5]triazin-4-one (PubChem CID 50915897) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 8-benzyl-6-methylidene-2-morpholin-4-yl-7H-imidazo[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name8-benzyl-6-methylidene-2-morpholin-4-yl-7H-imidazo[1,2-a][1,3,5]triazin-4-one
PubChem CID50915897
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name8-benzyl-6-methylidene-2-morpholin-4-yl-7H-imidazo[1,2-a][1,3,5]triazin-4-one
SMILESC=C1CN(Cc2ccccc2)c2nc(N3CCOCC3)nc(=O)n21
InChIInChI=1S/C17H19N5O2/c1-13-11-21(12-14-5-3-2-4-6-14)16-18-15(19-17(23)22(13)16)20-7-9-24-10-8-20/h2-6H,1,7-12H2
InChIKeyNTGJLAKUWIOGBL-UHFFFAOYSA-N
XLogP0.97
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-benzyl-6-methylidene-2-morpholin-4-yl-7H-imidazo[1,2-a][1,3,5]triazin-4-one with MolForge

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Related Compounds

6-benzyl-2,4-dimorpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57431755
4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine
CID 10619455
2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 15050995
N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935485
4-(4-benzyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)morpholine
CID 161423330
N-benzyl-2-morpholin-4-ylpyrimidin-4-amine
CID 46891015
4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80872274
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine
CID 46854232
8-methyl-2-morpholin-4-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one
CID 934965
4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine
CID 138973898
N-benzyl-6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 2913057

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-methylidene-2-morpholin-4-yl-7H-imidazo[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 8-benzyl-6-methylidene-2-morpholin-4-yl-7H-imidazo[1,2-a][1,3,5]triazin-4-one (CID 50915897) is 8-benzyl-6-methylidene-2-morpholin-4-yl-7H-imidazo[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 8-benzyl-6-methylidene-2-morpholin-4-yl-7H-imidazo[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 8-benzyl-6-methylidene-2-morpholin-4-yl-7H-imidazo[1,2-a][1,3,5]triazin-4-one is C=C1CN(Cc2ccccc2)c2nc(N3CCOCC3)nc(=O)n21.
What is the InChIKey of 8-benzyl-6-methylidene-2-morpholin-4-yl-7H-imidazo[1,2-a][1,3,5]triazin-4-one?
The InChIKey is NTGJLAKUWIOGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-13-11-21(12-14-5-3-2-4-6-14)16-18-15(19-17(23)22(13)16)20-7-9-24-10-8-20/h2-6H,1,7-12H2.
What are the key properties of 8-benzyl-6-methylidene-2-morpholin-4-yl-7H-imidazo[1,2-a][1,3,5]triazin-4-one?
8-benzyl-6-methylidene-2-morpholin-4-yl-7H-imidazo[1,2-a][1,3,5]triazin-4-one has a molecular weight of 325.37 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-methylidene-2-morpholin-4-yl-7H-imidazo[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 50915897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).