3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one

C14H18N4O3 — CID 81209147

IUPAC3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
SMILESCC1COC(CO)CN1Cn1nnc2ccccc2c1=O
InChIInChI=1S/C14H18N4O3/c1-10-8-21-11(7-19)6-17(10)9-18-14(20)12-4-2-3-5-13(12)15-16-18/h2-5,10-11,19H,6-9H2,1H3
InChIKeyNJARGZNSPHCSKM-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.17
Rot. Bonds3

About 3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one

3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one (PubChem CID 81209147) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
PubChem CID81209147
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
SMILESCC1COC(CO)CN1Cn1nnc2ccccc2c1=O
InChIInChI=1S/C14H18N4O3/c1-10-8-21-11(7-19)6-17(10)9-18-14(20)12-4-2-3-5-13(12)15-16-18/h2-5,10-11,19H,6-9H2,1H3
InChIKeyNJARGZNSPHCSKM-UHFFFAOYSA-N
XLogP-0.17
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 807255
3-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 35899137
3-[[2-(aminomethyl)morpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 114398730
4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785
ethane;3-ethyl-1,2,3-benzotriazin-4-one
CID 145233159
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-(4-hydroxyphenyl)ethanone
CID 81204106
2-[1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61370126
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-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 30901046
3-[(4-hydroxyphenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 47262856
methyl 1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]pyrrolidine-3-carboxylate
CID 112731955

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one (CID 81209147) is 3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one is CC1COC(CO)CN1Cn1nnc2ccccc2c1=O.
What is the InChIKey of 3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one?
The InChIKey is NJARGZNSPHCSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-10-8-21-11(7-19)6-17(10)9-18-14(20)12-4-2-3-5-13(12)15-16-18/h2-5,10-11,19H,6-9H2,1H3.
What are the key properties of 3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one?
3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one has a molecular weight of 290.32 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 81209147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).