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

C7H6N6O4 — CID 11831466

IUPAC2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetic acid
SMILESNC(=O)c1ncn2c(=O)n(CC(=O)O)nnc12
InChIInChI=1S/C7H6N6O4/c8-5(16)4-6-10-11-13(1-3(14)15)7(17)12(6)2-9-4/h2H,1H2,(H2,8,16)(H,14,15)
InChIKeySSEWJYFCBNVBAI-UHFFFAOYSA-N
MW238.16 g/mol
LogP-2.53
Rot. Bonds3

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

2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetic acid (PubChem CID 11831466) has the molecular formula C7H6N6O4 and a molecular weight of 238.16 g/mol. Its IUPAC name is 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetic acid
PubChem CID11831466
Molecular FormulaC7H6N6O4
Molecular Weight238.16 g/mol
Exact Mass238.05
IUPAC Name2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetic acid
SMILESNC(=O)c1ncn2c(=O)n(CC(=O)O)nnc12
InChIInChI=1S/C7H6N6O4/c8-5(16)4-6-10-11-13(1-3(14)15)7(17)12(6)2-9-4/h2H,1H2,(H2,8,16)(H,14,15)
InChIKeySSEWJYFCBNVBAI-UHFFFAOYSA-N
XLogP-2.53
TPSA145.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 5-2.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetic acid?
The IUPAC name of 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetic acid (CID 11831466) is 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetic acid.
What is the SMILES notation for 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetic acid?
The canonical SMILES for 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetic acid is NC(=O)c1ncn2c(=O)n(CC(=O)O)nnc12.
What is the InChIKey of 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetic acid?
The InChIKey is SSEWJYFCBNVBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N6O4/c8-5(16)4-6-10-11-13(1-3(14)15)7(17)12(6)2-9-4/h2H,1H2,(H2,8,16)(H,14,15).
What are the key properties of 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetic acid?
2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetic acid has a molecular weight of 238.16 g/mol, XLogP of -2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetic acid is sourced from PubChem (CID 11831466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).