3-[[2-(aminomethyl)morpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one

C13H17N5O2 — CID 114398730

IUPAC3-[[2-(aminomethyl)morpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
SMILESNCC1CN(Cn2nnc3ccccc3c2=O)CCO1
InChIInChI=1S/C13H17N5O2/c14-7-10-8-17(5-6-20-10)9-18-13(19)11-3-1-2-4-12(11)15-16-18/h1-4,10H,5-9,14H2
InChIKeyILNIJFMDMWPUTF-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.59
Rot. Bonds3

About 3-[[2-(aminomethyl)morpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one

3-[[2-(aminomethyl)morpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one (PubChem CID 114398730) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)morpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-[[2-(aminomethyl)morpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
PubChem CID114398730
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name3-[[2-(aminomethyl)morpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
SMILESNCC1CN(Cn2nnc3ccccc3c2=O)CCO1
InChIInChI=1S/C13H17N5O2/c14-7-10-8-17(5-6-20-10)9-18-13(19)11-3-1-2-4-12(11)15-16-18/h1-4,10H,5-9,14H2
InChIKeyILNIJFMDMWPUTF-UHFFFAOYSA-N
XLogP-0.59
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 35899137
3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one
CID 694457
3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 807255
3-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 9205096
methyl 1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]pyrrolidine-3-carboxylate
CID 112731955
3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 30901046
3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 81209147
3-[[(4R)-1,3-dioxan-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 97317007
[4-[(2-methylquinolin-4-yl)methyl]morpholin-2-yl]methanamine
CID 79235234
3-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 31584091
3-[[(2S)-2-ethylmorpholin-4-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide
CID 34895099
ethane;3-ethyl-1,2,3-benzotriazin-4-one
CID 145233159

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)morpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-[[2-(aminomethyl)morpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one (CID 114398730) is 3-[[2-(aminomethyl)morpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-[[2-(aminomethyl)morpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-[[2-(aminomethyl)morpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one is NCC1CN(Cn2nnc3ccccc3c2=O)CCO1.
What is the InChIKey of 3-[[2-(aminomethyl)morpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one?
The InChIKey is ILNIJFMDMWPUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c14-7-10-8-17(5-6-20-10)9-18-13(19)11-3-1-2-4-12(11)15-16-18/h1-4,10H,5-9,14H2.
What are the key properties of 3-[[2-(aminomethyl)morpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one?
3-[[2-(aminomethyl)morpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one has a molecular weight of 275.31 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)morpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 114398730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).