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

C13H16N4O2 — CID 35899137

IUPAC3-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
SMILESC[C@@H]1CN(Cn2nnc3ccccc3c2=O)CCO1
InChIInChI=1S/C13H16N4O2/c1-10-8-16(6-7-19-10)9-17-13(18)11-4-2-3-5-12(11)14-15-17/h2-5,10H,6-9H2,1H3/t10-/m1/s1
InChIKeyFXHAWXBJSFTMGG-SNVBAGLBSA-N
MW260.30 g/mol
LogP0.47
Rot. Bonds2

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

3-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one (PubChem CID 35899137) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
PubChem CID35899137
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
SMILESC[C@@H]1CN(Cn2nnc3ccccc3c2=O)CCO1
InChIInChI=1S/C13H16N4O2/c1-10-8-16(6-7-19-10)9-17-13(18)11-4-2-3-5-12(11)14-15-17/h2-5,10H,6-9H2,1H3/t10-/m1/s1
InChIKeyFXHAWXBJSFTMGG-SNVBAGLBSA-N
XLogP0.47
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 807255
3-[[2-(aminomethyl)morpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 114398730
3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 30901046
3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one
CID 694457
methyl 1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]pyrrolidine-3-carboxylate
CID 112731955
3-methyl-2-[2-[(2R)-2-methylmorpholin-4-yl]ethylsulfanyl]quinazolin-4-one
CID 99825262
3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 81209147
3-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 9205096
2-[(2-methylmorpholin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42929876
3-[[(2S)-2-methylmorpholin-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 36697538
2-[2-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile
CID 31502094
ethane;3-ethyl-1,2,3-benzotriazin-4-one
CID 145233159

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one (CID 35899137) is 3-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one is C[C@@H]1CN(Cn2nnc3ccccc3c2=O)CCO1.
What is the InChIKey of 3-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one?
The InChIKey is FXHAWXBJSFTMGG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-10-8-16(6-7-19-10)9-17-13(18)11-4-2-3-5-12(11)14-15-17/h2-5,10H,6-9H2,1H3/t10-/m1/s1.
What are the key properties of 3-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one?
3-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one has a molecular weight of 260.30 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 35899137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).