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

C14H26N6O2 — CID 71487623

IUPAC1-N,4-N-ditert-butyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
SMILESCC1=NN(C(=O)NC(C)(C)C)C(C)=NN1C(=O)NC(C)(C)C
InChIInChI=1S/C14H26N6O2/c1-9-17-20(12(22)16-14(6,7)8)10(2)18-19(9)11(21)15-13(3,4)5/h1-8H3,(H,15,21)(H,16,22)
InChIKeyIEXYKYBMGWZGBQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.29
Rot. Bonds

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

1-N,4-N-ditert-butyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide (PubChem CID 71487623) has the molecular formula C14H26N6O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-N,4-N-ditert-butyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-ditert-butyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
PubChem CID71487623
Molecular FormulaC14H26N6O2
Molecular Weight310.40 g/mol
Exact Mass310.21
IUPAC Name1-N,4-N-ditert-butyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
SMILESCC1=NN(C(=O)NC(C)(C)C)C(C)=NN1C(=O)NC(C)(C)C
InChIInChI=1S/C14H26N6O2/c1-9-17-20(12(22)16-14(6,7)8)10(2)18-19(9)11(21)15-13(3,4)5/h1-8H3,(H,15,21)(H,16,22)
InChIKeyIEXYKYBMGWZGBQ-UHFFFAOYSA-N
XLogP2.29
TPSA89.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-ditert-butyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-ditert-butyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide (CID 71487623) is 1-N,4-N-ditert-butyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-ditert-butyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-ditert-butyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide is CC1=NN(C(=O)NC(C)(C)C)C(C)=NN1C(=O)NC(C)(C)C.
What is the InChIKey of 1-N,4-N-ditert-butyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
The InChIKey is IEXYKYBMGWZGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O2/c1-9-17-20(12(22)16-14(6,7)8)10(2)18-19(9)11(21)15-13(3,4)5/h1-8H3,(H,15,21)(H,16,22).
What are the key properties of 1-N,4-N-ditert-butyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
1-N,4-N-ditert-butyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-ditert-butyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide is sourced from PubChem (CID 71487623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).