N-(2-methoxyphenyl)-3,6-diphenyl-1H-1,2,4,5-tetrazine-2-carboxamide

C22H19N5O2 — CID 73352602

IUPACN-(2-methoxyphenyl)-3,6-diphenyl-1H-1,2,4,5-tetrazine-2-carboxamide
SMILESCOc1ccccc1NC(=O)N1NC(c2ccccc2)=NN=C1c1ccccc1
InChIInChI=1S/C22H19N5O2/c1-29-19-15-9-8-14-18(19)23-22(28)27-21(17-12-6-3-7-13-17)25-24-20(26-27)16-10-4-2-5-11-16/h2-15H,1H3,(H,23,28)(H,24,26)
InChIKeyACAAAHPKWXYFAW-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.86
Rot. Bonds4

About N-(2-methoxyphenyl)-3,6-diphenyl-1H-1,2,4,5-tetrazine-2-carboxamide

N-(2-methoxyphenyl)-3,6-diphenyl-1H-1,2,4,5-tetrazine-2-carboxamide (PubChem CID 73352602) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3,6-diphenyl-1H-1,2,4,5-tetrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3,6-diphenyl-1H-1,2,4,5-tetrazine-2-carboxamide
PubChem CID73352602
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC NameN-(2-methoxyphenyl)-3,6-diphenyl-1H-1,2,4,5-tetrazine-2-carboxamide
SMILESCOc1ccccc1NC(=O)N1NC(c2ccccc2)=NN=C1c1ccccc1
InChIInChI=1S/C22H19N5O2/c1-29-19-15-9-8-14-18(19)23-22(28)27-21(17-12-6-3-7-13-17)25-24-20(26-27)16-10-4-2-5-11-16/h2-15H,1H3,(H,23,28)(H,24,26)
InChIKeyACAAAHPKWXYFAW-UHFFFAOYSA-N
XLogP3.86
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N~1~,N~4~-Bis(2-methoxyphenyl)-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
CID 44271501
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1-(2-Methoxyphenyl)-3-(2,4,6-trimethylanilino)urea
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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3,6-diphenyl-1H-1,2,4,5-tetrazine-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-3,6-diphenyl-1H-1,2,4,5-tetrazine-2-carboxamide (CID 73352602) is N-(2-methoxyphenyl)-3,6-diphenyl-1H-1,2,4,5-tetrazine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3,6-diphenyl-1H-1,2,4,5-tetrazine-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-3,6-diphenyl-1H-1,2,4,5-tetrazine-2-carboxamide is COc1ccccc1NC(=O)N1NC(c2ccccc2)=NN=C1c1ccccc1.
What is the InChIKey of N-(2-methoxyphenyl)-3,6-diphenyl-1H-1,2,4,5-tetrazine-2-carboxamide?
The InChIKey is ACAAAHPKWXYFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-29-19-15-9-8-14-18(19)23-22(28)27-21(17-12-6-3-7-13-17)25-24-20(26-27)16-10-4-2-5-11-16/h2-15H,1H3,(H,23,28)(H,24,26).
What are the key properties of N-(2-methoxyphenyl)-3,6-diphenyl-1H-1,2,4,5-tetrazine-2-carboxamide?
N-(2-methoxyphenyl)-3,6-diphenyl-1H-1,2,4,5-tetrazine-2-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3,6-diphenyl-1H-1,2,4,5-tetrazine-2-carboxamide is sourced from PubChem (CID 73352602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).