4-oxo-3-(2-trimethylsilylethoxymethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

C11H18N6O3Si — CID 10710093

IUPAC4-oxo-3-(2-trimethylsilylethoxymethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESC[Si](C)(C)CCOCn1nnc2c(C(N)=O)ncn2c1=O
InChIInChI=1S/C11H18N6O3Si/c1-21(2,3)5-4-20-7-17-11(19)16-6-13-8(9(12)18)10(16)14-15-17/h6H,4-5,7H2,1-3H3,(H2,12,18)
InChIKeyXTAAYHOHCWQHCR-UHFFFAOYSA-N
MW310.39 g/mol
LogP-0.30
Rot. Bonds6

About 4-oxo-3-(2-trimethylsilylethoxymethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

4-oxo-3-(2-trimethylsilylethoxymethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (PubChem CID 10710093) has the molecular formula C11H18N6O3Si and a molecular weight of 310.39 g/mol. Its IUPAC name is 4-oxo-3-(2-trimethylsilylethoxymethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.

Molecular Properties

Compound Name4-oxo-3-(2-trimethylsilylethoxymethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
PubChem CID10710093
Molecular FormulaC11H18N6O3Si
Molecular Weight310.39 g/mol
Exact Mass310.12
IUPAC Name4-oxo-3-(2-trimethylsilylethoxymethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESC[Si](C)(C)CCOCn1nnc2c(C(N)=O)ncn2c1=O
InChIInChI=1S/C11H18N6O3Si/c1-21(2,3)5-4-20-7-17-11(19)16-6-13-8(9(12)18)10(16)14-15-17/h6H,4-5,7H2,1-3H3,(H2,12,18)
InChIKeyXTAAYHOHCWQHCR-UHFFFAOYSA-N
XLogP-0.30
TPSA117.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-oxo-3-(2,2,2-trifluoroethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 10491686
3-(2-amino-2-oxoethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetic acid
CID 159831147
3-methyl-4-oxoimidazo[5,1-d](611C)[1,2,3,5]tetrazine-8-carboxamide
CID 10954410
ethyl 2-[[2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetyl]amino]acetate
CID 10663669
3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;hydrate
CID 69172078
methane;3-(methoxymethyl)-8-(3-methoxypropanoyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one;3-(methoxymethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;4-oxo-3H-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 161349223
methyl (2S)-2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)-3-hydroxy-2-methylpropanoate
CID 59567460
3-methyl-N-[[(3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl)amino]methyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 10763498
ethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 59677265
2-hydroxybutanedioic acid;bis(3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide)
CID 139255222
4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid
CID 140776896
3-(1-bromopiperidin-4-yl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 89009508

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-(2-trimethylsilylethoxymethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The IUPAC name of 4-oxo-3-(2-trimethylsilylethoxymethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CID 10710093) is 4-oxo-3-(2-trimethylsilylethoxymethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.
What is the SMILES notation for 4-oxo-3-(2-trimethylsilylethoxymethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The canonical SMILES for 4-oxo-3-(2-trimethylsilylethoxymethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is C[Si](C)(C)CCOCn1nnc2c(C(N)=O)ncn2c1=O.
What is the InChIKey of 4-oxo-3-(2-trimethylsilylethoxymethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The InChIKey is XTAAYHOHCWQHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O3Si/c1-21(2,3)5-4-20-7-17-11(19)16-6-13-8(9(12)18)10(16)14-15-17/h6H,4-5,7H2,1-3H3,(H2,12,18).
What are the key properties of 4-oxo-3-(2-trimethylsilylethoxymethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
4-oxo-3-(2-trimethylsilylethoxymethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide has a molecular weight of 310.39 g/mol, XLogP of -0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-(2-trimethylsilylethoxymethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is sourced from PubChem (CID 10710093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).