methyl 2-[1,2,4-benzotriazin-3-yl-(2-methoxy-2-oxoethyl)amino]acetate

C13H14N4O4 — CID 103204961

IUPACmethyl 2-[1,2,4-benzotriazin-3-yl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1nnc2ccccc2n1
InChIInChI=1S/C13H14N4O4/c1-20-11(18)7-17(8-12(19)21-2)13-14-9-5-3-4-6-10(9)15-16-13/h3-6H,7-8H2,1-2H3
InChIKeyNUSWSJOQEWTFTC-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.18
Rot. Bonds5

About methyl 2-[1,2,4-benzotriazin-3-yl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[1,2,4-benzotriazin-3-yl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 103204961) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is methyl 2-[1,2,4-benzotriazin-3-yl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[1,2,4-benzotriazin-3-yl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID103204961
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Namemethyl 2-[1,2,4-benzotriazin-3-yl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1nnc2ccccc2n1
InChIInChI=1S/C13H14N4O4/c1-20-11(18)7-17(8-12(19)21-2)13-14-9-5-3-4-6-10(9)15-16-13/h3-6H,7-8H2,1-2H3
InChIKeyNUSWSJOQEWTFTC-UHFFFAOYSA-N
XLogP0.18
TPSA94.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-[1,2,4-benzotriazin-3-yl(propyl)amino]acetate
CID 103204951
methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
CID 70130679
methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791
methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 116796877
3-[1,2,4-benzotriazin-3-yl(ethyl)amino]-2-methylpropanoic acid
CID 103203754
methyl 2-[methyl-(3-methylquinoxalin-2-yl)amino]acetate
CID 62375684
methyl 3-(1,2,4-benzotriazin-3-ylamino)propanoate
CID 103204118
methyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate
CID 62006139
methyl 2-[(2-methoxy-2-oxoethyl)-pyridazin-3-ylamino]acetate
CID 94903520
methyl 2-[N-(aminomethyl)anilino]acetate
CID 174634424
methyl 2-[(2-methoxy-2-oxoethyl)-(6-methoxy-2-pyridinyl)amino]acetate
CID 63588742
methyl 2-[N-(aminomethyl)anilino]acetate;hydrochloride
CID 174634423

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1,2,4-benzotriazin-3-yl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[1,2,4-benzotriazin-3-yl-(2-methoxy-2-oxoethyl)amino]acetate (CID 103204961) is methyl 2-[1,2,4-benzotriazin-3-yl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[1,2,4-benzotriazin-3-yl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[1,2,4-benzotriazin-3-yl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)c1nnc2ccccc2n1.
What is the InChIKey of methyl 2-[1,2,4-benzotriazin-3-yl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is NUSWSJOQEWTFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-20-11(18)7-17(8-12(19)21-2)13-14-9-5-3-4-6-10(9)15-16-13/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 2-[1,2,4-benzotriazin-3-yl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[1,2,4-benzotriazin-3-yl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 290.28 g/mol, XLogP of 0.18, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1,2,4-benzotriazin-3-yl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 103204961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).