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

C22H26N6O2 — CID 11292679

IUPAC1-N,4-N-diphenyl-3,6-dipropyl-1,2,4,5-tetrazine-1,4-dicarboxamide
SMILESCCCC1=NN(C(=O)Nc2ccccc2)C(CCC)=NN1C(=O)Nc1ccccc1
InChIInChI=1S/C22H26N6O2/c1-3-11-19-25-28(22(30)24-18-15-9-6-10-16-18)20(12-4-2)26-27(19)21(29)23-17-13-7-5-8-14-17/h5-10,13-16H,3-4,11-12H2,1-2H3,(H,23,29)(H,24,30)
InChIKeyRGVBQORKFNUZPQ-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.30
Rot. Bonds6

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

1-N,4-N-diphenyl-3,6-dipropyl-1,2,4,5-tetrazine-1,4-dicarboxamide (PubChem CID 11292679) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-N,4-N-diphenyl-3,6-dipropyl-1,2,4,5-tetrazine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-diphenyl-3,6-dipropyl-1,2,4,5-tetrazine-1,4-dicarboxamide
PubChem CID11292679
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name1-N,4-N-diphenyl-3,6-dipropyl-1,2,4,5-tetrazine-1,4-dicarboxamide
SMILESCCCC1=NN(C(=O)Nc2ccccc2)C(CCC)=NN1C(=O)Nc1ccccc1
InChIInChI=1S/C22H26N6O2/c1-3-11-19-25-28(22(30)24-18-15-9-6-10-16-18)20(12-4-2)26-27(19)21(29)23-17-13-7-5-8-14-17/h5-10,13-16H,3-4,11-12H2,1-2H3,(H,23,29)(H,24,30)
InChIKeyRGVBQORKFNUZPQ-UHFFFAOYSA-N
XLogP5.30
TPSA89.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N,4-N-diphenyl-3,6-dipropyl-1,2,4,5-tetrazine-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Fluorophenyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)urea
CID 2360016
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
4-[1-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-N-phenylpiperidine-1-carboxamide
CID 137299344
N1,N4-bis(3-chlorophenyl)-3,6-dipropyl-1,2,4,5-tetrazine-1,4-dicarboxamide
CID 11260051
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
3,6-dimethyl-N1,N4-diphenyl-1,2,4,5-tetrazine-1,4-dicarboxamide
CID 11337054
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

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-diphenyl-3,6-dipropyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-diphenyl-3,6-dipropyl-1,2,4,5-tetrazine-1,4-dicarboxamide (CID 11292679) is 1-N,4-N-diphenyl-3,6-dipropyl-1,2,4,5-tetrazine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-diphenyl-3,6-dipropyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-diphenyl-3,6-dipropyl-1,2,4,5-tetrazine-1,4-dicarboxamide is CCCC1=NN(C(=O)Nc2ccccc2)C(CCC)=NN1C(=O)Nc1ccccc1.
What is the InChIKey of 1-N,4-N-diphenyl-3,6-dipropyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
The InChIKey is RGVBQORKFNUZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-3-11-19-25-28(22(30)24-18-15-9-6-10-16-18)20(12-4-2)26-27(19)21(29)23-17-13-7-5-8-14-17/h5-10,13-16H,3-4,11-12H2,1-2H3,(H,23,29)(H,24,30).
What are the key properties of 1-N,4-N-diphenyl-3,6-dipropyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
1-N,4-N-diphenyl-3,6-dipropyl-1,2,4,5-tetrazine-1,4-dicarboxamide has a molecular weight of 406.49 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-diphenyl-3,6-dipropyl-1,2,4,5-tetrazine-1,4-dicarboxamide is sourced from PubChem (CID 11292679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).