3-N-phenyl-6-N-(3-trimethoxysilylpropyl)-1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxamide

C16H24N6O5Si — CID 59153820

IUPAC3-N-phenyl-6-N-(3-trimethoxysilylpropyl)-1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxamide
SMILESCO[Si](CCCNC(=O)C1=NNC(C(=O)Nc2ccccc2)=NN1)(OC)OC
InChIInChI=1S/C16H24N6O5Si/c1-25-28(26-2,27-3)11-7-10-17-15(23)13-19-21-14(22-20-13)16(24)18-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)
InChIKeyAPWJYASNDRRDLA-UHFFFAOYSA-N
MW408.49 g/mol
LogP-0.17
Rot. Bonds10

About 3-N-phenyl-6-N-(3-trimethoxysilylpropyl)-1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxamide

3-N-phenyl-6-N-(3-trimethoxysilylpropyl)-1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxamide (PubChem CID 59153820) has the molecular formula C16H24N6O5Si and a molecular weight of 408.49 g/mol. Its IUPAC name is 3-N-phenyl-6-N-(3-trimethoxysilylpropyl)-1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxamide.

Molecular Properties

Compound Name3-N-phenyl-6-N-(3-trimethoxysilylpropyl)-1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxamide
PubChem CID59153820
Molecular FormulaC16H24N6O5Si
Molecular Weight408.49 g/mol
Exact Mass408.16
IUPAC Name3-N-phenyl-6-N-(3-trimethoxysilylpropyl)-1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxamide
SMILESCO[Si](CCCNC(=O)C1=NNC(C(=O)Nc2ccccc2)=NN1)(OC)OC
InChIInChI=1S/C16H24N6O5Si/c1-25-28(26-2,27-3)11-7-10-17-15(23)13-19-21-14(22-20-13)16(24)18-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)
InChIKeyAPWJYASNDRRDLA-UHFFFAOYSA-N
XLogP-0.17
TPSA134.67 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-N-phenyl-6-N-(3-trimethoxysilylpropyl)-1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxamide with MolForge

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Related Compounds

4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide
CID 58554755
1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one
CID 156782996
2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid
CID 174032259
N-(3-trimethoxysilylpropyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide
CID 123343562
N-(2-phenylethyl)-4-trimethoxysilylbutanamide
CID 174613430
CID 165388786
CID 165388786
1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483
N-(3-methoxypropyl)-N'-phenyloxamide
CID 3437698
phenyl 6-oxo-6-(3-trimethoxysilylpropylamino)hexanoate
CID 59747372
1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea
CID 140892825
4-benzamido-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 55534844
N-butyl-2-(phenylcarbamoylamino)benzamide
CID 19629104

Frequently Asked Questions

What is the IUPAC name of 3-N-phenyl-6-N-(3-trimethoxysilylpropyl)-1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxamide?
The IUPAC name of 3-N-phenyl-6-N-(3-trimethoxysilylpropyl)-1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxamide (CID 59153820) is 3-N-phenyl-6-N-(3-trimethoxysilylpropyl)-1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxamide.
What is the SMILES notation for 3-N-phenyl-6-N-(3-trimethoxysilylpropyl)-1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxamide?
The canonical SMILES for 3-N-phenyl-6-N-(3-trimethoxysilylpropyl)-1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxamide is CO[Si](CCCNC(=O)C1=NNC(C(=O)Nc2ccccc2)=NN1)(OC)OC.
What is the InChIKey of 3-N-phenyl-6-N-(3-trimethoxysilylpropyl)-1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxamide?
The InChIKey is APWJYASNDRRDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O5Si/c1-25-28(26-2,27-3)11-7-10-17-15(23)13-19-21-14(22-20-13)16(24)18-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22).
What are the key properties of 3-N-phenyl-6-N-(3-trimethoxysilylpropyl)-1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxamide?
3-N-phenyl-6-N-(3-trimethoxysilylpropyl)-1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxamide has a molecular weight of 408.49 g/mol, XLogP of -0.17, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-phenyl-6-N-(3-trimethoxysilylpropyl)-1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxamide is sourced from PubChem (CID 59153820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).