2,3-dihydroxybutanedioic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

C10H12N6O8 — CID 139255216

IUPAC2,3-dihydroxybutanedioic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESCn1nnc2c(C(N)=O)ncn2c1=O.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C6H6N6O2.C4H6O6/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11;5-1(3(7)8)2(6)4(9)10/h2H,1H3,(H2,7,13);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyJQSLCNQJHZQOFY-UHFFFAOYSA-N
MW344.24 g/mol
LogP-4.20
Rot. Bonds4

About 2,3-dihydroxybutanedioic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

2,3-dihydroxybutanedioic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (PubChem CID 139255216) has the molecular formula C10H12N6O8 and a molecular weight of 344.24 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
PubChem CID139255216
Molecular FormulaC10H12N6O8
Molecular Weight344.24 g/mol
Exact Mass344.07
IUPAC Name2,3-dihydroxybutanedioic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESCn1nnc2c(C(N)=O)ncn2c1=O.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C6H6N6O2.C4H6O6/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11;5-1(3(7)8)2(6)4(9)10/h2H,1H3,(H2,7,13);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyJQSLCNQJHZQOFY-UHFFFAOYSA-N
XLogP-4.20
TPSA223.23 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.24
LogP ≤ 5-4.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The IUPAC name of 2,3-dihydroxybutanedioic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CID 139255216) is 2,3-dihydroxybutanedioic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is Cn1nnc2c(C(N)=O)ncn2c1=O.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The InChIKey is JQSLCNQJHZQOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6O2.C4H6O6/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11;5-1(3(7)8)2(6)4(9)10/h2H,1H3,(H2,7,13);1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 2,3-dihydroxybutanedioic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
2,3-dihydroxybutanedioic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide has a molecular weight of 344.24 g/mol, XLogP of -4.20, 4 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is sourced from PubChem (CID 139255216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).