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

C8H10N6O4 — CID 139255217

IUPACacetic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESCC(=O)O.Cn1nnc2c(C(N)=O)ncn2c1=O
InChIInChI=1S/C6H6N6O2.C2H4O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11;1-2(3)4/h2H,1H3,(H2,7,13);1H3,(H,3,4)
InChIKeyWOXIAFTUVJIVFA-UHFFFAOYSA-N
MW254.21 g/mol
LogP-1.99
Rot. Bonds1

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

acetic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (PubChem CID 139255217) has the molecular formula C8H10N6O4 and a molecular weight of 254.21 g/mol. Its IUPAC name is acetic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.

Molecular Properties

Compound Nameacetic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
PubChem CID139255217
Molecular FormulaC8H10N6O4
Molecular Weight254.21 g/mol
Exact Mass254.08
IUPAC Nameacetic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESCC(=O)O.Cn1nnc2c(C(N)=O)ncn2c1=O
InChIInChI=1S/C6H6N6O2.C2H4O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11;1-2(3)4/h2H,1H3,(H2,7,13);1H3,(H,3,4)
InChIKeyWOXIAFTUVJIVFA-UHFFFAOYSA-N
XLogP-1.99
TPSA145.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 5-1.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of acetic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The IUPAC name of acetic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CID 139255217) is acetic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.
What is the SMILES notation for acetic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The canonical SMILES for acetic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is CC(=O)O.Cn1nnc2c(C(N)=O)ncn2c1=O.
What is the InChIKey of acetic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The InChIKey is WOXIAFTUVJIVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6O2.C2H4O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11;1-2(3)4/h2H,1H3,(H2,7,13);1H3,(H,3,4).
What are the key properties of acetic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
acetic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide has a molecular weight of 254.21 g/mol, XLogP of -1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is sourced from PubChem (CID 139255217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).