methyl 2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate

C13H11N3O3 — CID 163846216

IUPACmethyl 2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate
SMILESCOC(=O)Cn1ncn2c(cc3ccccc32)c1=O
InChIInChI=1S/C13H11N3O3/c1-19-12(17)7-16-13(18)11-6-9-4-2-3-5-10(9)15(11)8-14-16/h2-6,8H,7H2,1H3
InChIKeyOQJSKXOHPBKIJI-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.82
Rot. Bonds2

About methyl 2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate

methyl 2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate (PubChem CID 163846216) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is methyl 2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate
PubChem CID163846216
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Namemethyl 2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate
SMILESCOC(=O)Cn1ncn2c(cc3ccccc32)c1=O
InChIInChI=1S/C13H11N3O3/c1-19-12(17)7-16-13(18)11-6-9-4-2-3-5-10(9)15(11)8-14-16/h2-6,8H,7H2,1H3
InChIKeyOQJSKXOHPBKIJI-UHFFFAOYSA-N
XLogP0.82
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 6623376
N-[2-(4-chlorophenyl)ethyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 20884640
ethyl 1-[2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetyl]piperidine-3-carboxylate
CID 20884665
methyl 2-(7-fluoro-1-oxo-4-phenyl-[1,2,4]triazino[4,5-a]indol-2-yl)acetate
CID 167523991
2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 20884907
ethyl 2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate
CID 168797397
2-(4-ethyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 20884534
N-[(2,5-dimethoxyphenyl)methyl]-2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 20884948
methyl 2-(12-methyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetate
CID 126469240
methyl 2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetate
CID 95915705
2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 20884947
N,N-diethyl-2-(9-oxo-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)acetamide
CID 126468463

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate?
The IUPAC name of methyl 2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate (CID 163846216) is methyl 2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate.
What is the SMILES notation for methyl 2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate?
The canonical SMILES for methyl 2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate is COC(=O)Cn1ncn2c(cc3ccccc32)c1=O.
What is the InChIKey of methyl 2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate?
The InChIKey is OQJSKXOHPBKIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-19-12(17)7-16-13(18)11-6-9-4-2-3-5-10(9)15(11)8-14-16/h2-6,8H,7H2,1H3.
What are the key properties of methyl 2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate?
methyl 2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate has a molecular weight of 257.25 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate is sourced from PubChem (CID 163846216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).