ethyl 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetate

C9H10N6O4 — CID 10978381

IUPACethyl 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetate
SMILESCCOC(=O)Cn1nnc2c(C(N)=O)ncn2c1=O
InChIInChI=1S/C9H10N6O4/c1-2-19-5(16)3-15-9(18)14-4-11-6(7(10)17)8(14)12-13-15/h4H,2-3H2,1H3,(H2,10,17)
InChIKeyIASWBDSBYRQQTF-UHFFFAOYSA-N
MW266.22 g/mol
LogP-2.05
Rot. Bonds4

About ethyl 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetate

ethyl 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetate (PubChem CID 10978381) has the molecular formula C9H10N6O4 and a molecular weight of 266.22 g/mol. Its IUPAC name is ethyl 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetate
PubChem CID10978381
Molecular FormulaC9H10N6O4
Molecular Weight266.22 g/mol
Exact Mass266.08
IUPAC Nameethyl 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetate
SMILESCCOC(=O)Cn1nnc2c(C(N)=O)ncn2c1=O
InChIInChI=1S/C9H10N6O4/c1-2-19-5(16)3-15-9(18)14-4-11-6(7(10)17)8(14)12-13-15/h4H,2-3H2,1H3,(H2,10,17)
InChIKeyIASWBDSBYRQQTF-UHFFFAOYSA-N
XLogP-2.05
TPSA134.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 5-2.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetate?
The IUPAC name of ethyl 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetate (CID 10978381) is ethyl 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetate?
The canonical SMILES for ethyl 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetate is CCOC(=O)Cn1nnc2c(C(N)=O)ncn2c1=O.
What is the InChIKey of ethyl 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetate?
The InChIKey is IASWBDSBYRQQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O4/c1-2-19-5(16)3-15-9(18)14-4-11-6(7(10)17)8(14)12-13-15/h4H,2-3H2,1H3,(H2,10,17).
What are the key properties of ethyl 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetate?
ethyl 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetate has a molecular weight of 266.22 g/mol, XLogP of -2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetate is sourced from PubChem (CID 10978381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).