benzamide;5,6-diphenyltetrazine

C21H17N5O — CID 174808864

IUPACbenzamide;5,6-diphenyltetrazine
SMILESNC(=O)c1ccccc1.c1ccc(-c2nnnnc2-c2ccccc2)cc1
InChIInChI=1S/C14H10N4.C7H7NO/c1-3-7-11(8-4-1)13-14(16-18-17-15-13)12-9-5-2-6-10-12;8-7(9)6-4-2-1-3-5-6/h1-10H;1-5H,(H2,8,9)
InChIKeySEFWWWFOXONYSS-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.39
Rot. Bonds3

About benzamide;5,6-diphenyltetrazine

benzamide;5,6-diphenyltetrazine (PubChem CID 174808864) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is benzamide;5,6-diphenyltetrazine.

Molecular Properties

Compound Namebenzamide;5,6-diphenyltetrazine
PubChem CID174808864
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Namebenzamide;5,6-diphenyltetrazine
SMILESNC(=O)c1ccccc1.c1ccc(-c2nnnnc2-c2ccccc2)cc1
InChIInChI=1S/C14H10N4.C7H7NO/c1-3-7-11(8-4-1)13-14(16-18-17-15-13)12-9-5-2-6-10-12;8-7(9)6-4-2-1-3-5-6/h1-10H;1-5H,(H2,8,9)
InChIKeySEFWWWFOXONYSS-UHFFFAOYSA-N
XLogP3.39
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 175327257

Frequently Asked Questions

What is the IUPAC name of benzamide;5,6-diphenyltetrazine?
The IUPAC name of benzamide;5,6-diphenyltetrazine (CID 174808864) is benzamide;5,6-diphenyltetrazine.
What is the SMILES notation for benzamide;5,6-diphenyltetrazine?
The canonical SMILES for benzamide;5,6-diphenyltetrazine is NC(=O)c1ccccc1.c1ccc(-c2nnnnc2-c2ccccc2)cc1.
What is the InChIKey of benzamide;5,6-diphenyltetrazine?
The InChIKey is SEFWWWFOXONYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4.C7H7NO/c1-3-7-11(8-4-1)13-14(16-18-17-15-13)12-9-5-2-6-10-12;8-7(9)6-4-2-1-3-5-6/h1-10H;1-5H,(H2,8,9).
What are the key properties of benzamide;5,6-diphenyltetrazine?
benzamide;5,6-diphenyltetrazine has a molecular weight of 355.40 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;5,6-diphenyltetrazine is sourced from PubChem (CID 174808864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).