methyl 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetate

C13H15N3O3 — CID 91890164

IUPACmethyl 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetate
SMILESCOC(=O)Cn1ccn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C13H15N3O3/c1-19-11(17)8-15-6-7-16-12(13(15)18)9-4-2-3-5-10(9)14-16/h6-7H,2-5,8H2,1H3
InChIKeyXVCLIZUEHKUMTE-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.55
Rot. Bonds2

About methyl 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetate

methyl 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetate (PubChem CID 91890164) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetate
PubChem CID91890164
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Namemethyl 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetate
SMILESCOC(=O)Cn1ccn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C13H15N3O3/c1-19-11(17)8-15-6-7-16-12(13(15)18)9-4-2-3-5-10(9)14-16/h6-7H,2-5,8H2,1H3
InChIKeyXVCLIZUEHKUMTE-UHFFFAOYSA-N
XLogP0.55
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetate?
The IUPAC name of methyl 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetate (CID 91890164) is methyl 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetate?
The canonical SMILES for methyl 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetate is COC(=O)Cn1ccn2nc3c(c2c1=O)CCCC3.
What is the InChIKey of methyl 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetate?
The InChIKey is XVCLIZUEHKUMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-19-11(17)8-15-6-7-16-12(13(15)18)9-4-2-3-5-10(9)14-16/h6-7H,2-5,8H2,1H3.
What are the key properties of methyl 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetate?
methyl 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetate has a molecular weight of 261.28 g/mol, XLogP of 0.55, 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-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetate is sourced from PubChem (CID 91890164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).