3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one

C14H18N4O2 — CID 807255

IUPAC3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
SMILESC[C@@H]1CN(Cn2nnc3ccccc3c2=O)C[C@@H](C)O1
InChIInChI=1S/C14H18N4O2/c1-10-7-17(8-11(2)20-10)9-18-14(19)12-5-3-4-6-13(12)15-16-18/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyIDHLJCLDIBQKOV-GHMZBOCLSA-N
MW274.32 g/mol
LogP0.86
Rot. Bonds2

About 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one

3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one (PubChem CID 807255) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
PubChem CID807255
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
SMILESC[C@@H]1CN(Cn2nnc3ccccc3c2=O)C[C@@H](C)O1
InChIInChI=1S/C14H18N4O2/c1-10-7-17(8-11(2)20-10)9-18-14(19)12-5-3-4-6-13(12)15-16-18/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyIDHLJCLDIBQKOV-GHMZBOCLSA-N
XLogP0.86
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one with MolForge

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Related Compounds

3-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 35899137
3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 30901046
3-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 35815227
3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one
CID 694457
3-[[2-(aminomethyl)morpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 114398730
3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 81209147
ethane;3-ethyl-1,2,3-benzotriazin-4-one
CID 145233159
methyl 1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]pyrrolidine-3-carboxylate
CID 112731955
3-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 9205096
3-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 31584091
3-(methylsulfinylmethyl)-1,2,3-benzotriazin-4-one
CID 71412255
3-[(4-hydroxyphenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 47262856

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one (CID 807255) is 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one is C[C@@H]1CN(Cn2nnc3ccccc3c2=O)C[C@@H](C)O1.
What is the InChIKey of 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one?
The InChIKey is IDHLJCLDIBQKOV-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-7-17(8-11(2)20-10)9-18-14(19)12-5-3-4-6-13(12)15-16-18/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one?
3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one has a molecular weight of 274.32 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 807255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).