3,6-dimethyl-1-N,4-N-diphenyl-1,2,4,5-tetrazine-1,4-dicarboxamide

C18H18N6O2 — CID 11337054

IUPAC3,6-dimethyl-1-N,4-N-diphenyl-1,2,4,5-tetrazine-1,4-dicarboxamide
SMILESCC1=NN(C(=O)Nc2ccccc2)C(C)=NN1C(=O)Nc1ccccc1
InChIInChI=1S/C18H18N6O2/c1-13-21-24(18(26)20-16-11-7-4-8-12-16)14(2)22-23(13)17(25)19-15-9-5-3-6-10-15/h3-12H,1-2H3,(H,19,25)(H,20,26)
InChIKeyHEOSAQMYCXDPQG-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.73
Rot. Bonds2

About 3,6-dimethyl-1-N,4-N-diphenyl-1,2,4,5-tetrazine-1,4-dicarboxamide

3,6-dimethyl-1-N,4-N-diphenyl-1,2,4,5-tetrazine-1,4-dicarboxamide (PubChem CID 11337054) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3,6-dimethyl-1-N,4-N-diphenyl-1,2,4,5-tetrazine-1,4-dicarboxamide.

Molecular Properties

Compound Name3,6-dimethyl-1-N,4-N-diphenyl-1,2,4,5-tetrazine-1,4-dicarboxamide
PubChem CID11337054
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name3,6-dimethyl-1-N,4-N-diphenyl-1,2,4,5-tetrazine-1,4-dicarboxamide
SMILESCC1=NN(C(=O)Nc2ccccc2)C(C)=NN1C(=O)Nc1ccccc1
InChIInChI=1S/C18H18N6O2/c1-13-21-24(18(26)20-16-11-7-4-8-12-16)14(2)22-23(13)17(25)19-15-9-5-3-6-10-15/h3-12H,1-2H3,(H,19,25)(H,20,26)
InChIKeyHEOSAQMYCXDPQG-UHFFFAOYSA-N
XLogP3.73
TPSA89.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dimethyl-N1,N4-dim-tolyl-1,2,4,5-tetrazine-1,4-dicarboxamide
CID 10022543
1-[(E)-hexan-2-ylideneamino]-3-phenylurea
CID 9585232
3,6-dipropyl-N1,N4-dim-tolyl-1,2,4,5-tetrazine-1,4-dicarboxamide
CID 11305087
3,6-diethyl-N1,N4-dim-tolyl-1,2,4,5-tetrazine-1,4-dicarboxamide
CID 11395648
N1,N4-bis(3-chlorophenyl)-3,6-dipropyl-1,2,4,5-tetrazine-1,4-dicarboxamide
CID 11260051
N1,N4-diphenyl-3,6-dipropyl-1,2,4,5-tetrazine-1,4-dicarboxamide
CID 11292679
N~1~,N~4~-Bis(3,5-dimethylphenyl)-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
CID 44271551
N1,N4-bis(3-chlorophenyl)-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
CID 11281544
Urea, N,N'-diphenyl-N-nitroso-
CID 96619
3,6-dimethyl-1-N,4-N-bis(3-nitrophenyl)-1,2,4,5-tetrazine-1,4-dicarboxamide
CID 44271563
N~1~,N~4~-Bis(2-chlorophenyl)-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
CID 44271580
1-N,4-N-bis[3-(dimethylamino)phenyl]-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
CID 44271593

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-N,4-N-diphenyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
The IUPAC name of 3,6-dimethyl-1-N,4-N-diphenyl-1,2,4,5-tetrazine-1,4-dicarboxamide (CID 11337054) is 3,6-dimethyl-1-N,4-N-diphenyl-1,2,4,5-tetrazine-1,4-dicarboxamide.
What is the SMILES notation for 3,6-dimethyl-1-N,4-N-diphenyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
The canonical SMILES for 3,6-dimethyl-1-N,4-N-diphenyl-1,2,4,5-tetrazine-1,4-dicarboxamide is CC1=NN(C(=O)Nc2ccccc2)C(C)=NN1C(=O)Nc1ccccc1.
What is the InChIKey of 3,6-dimethyl-1-N,4-N-diphenyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
The InChIKey is HEOSAQMYCXDPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-13-21-24(18(26)20-16-11-7-4-8-12-16)14(2)22-23(13)17(25)19-15-9-5-3-6-10-15/h3-12H,1-2H3,(H,19,25)(H,20,26).
What are the key properties of 3,6-dimethyl-1-N,4-N-diphenyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
3,6-dimethyl-1-N,4-N-diphenyl-1,2,4,5-tetrazine-1,4-dicarboxamide has a molecular weight of 350.38 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-N,4-N-diphenyl-1,2,4,5-tetrazine-1,4-dicarboxamide is sourced from PubChem (CID 11337054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).