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

C14H26N6O2 — CID 71487625

IUPAC1-N,1-N,4-N,4-N-tetraethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1N=C(C)N(C(=O)N(CC)CC)N=C1C
InChIInChI=1S/C14H26N6O2/c1-7-17(8-2)13(21)19-11(5)16-20(12(6)15-19)14(22)18(9-3)10-4/h7-10H2,1-6H3
InChIKeyDSLMVWVXAYXNIR-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.19
Rot. Bonds4

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

1-N,1-N,4-N,4-N-tetraethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide (PubChem CID 71487625) has the molecular formula C14H26N6O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N-tetraethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N-tetraethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
PubChem CID71487625
Molecular FormulaC14H26N6O2
Molecular Weight310.40 g/mol
Exact Mass310.21
IUPAC Name1-N,1-N,4-N,4-N-tetraethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1N=C(C)N(C(=O)N(CC)CC)N=C1C
InChIInChI=1S/C14H26N6O2/c1-7-17(8-2)13(21)19-11(5)16-20(12(6)15-19)14(22)18(9-3)10-4/h7-10H2,1-6H3
InChIKeyDSLMVWVXAYXNIR-UHFFFAOYSA-N
XLogP2.19
TPSA71.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N-tetraethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N,4-N,4-N-tetraethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide (CID 71487625) is 1-N,1-N,4-N,4-N-tetraethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N,4-N,4-N-tetraethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N,4-N,4-N-tetraethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide is CCN(CC)C(=O)N1N=C(C)N(C(=O)N(CC)CC)N=C1C.
What is the InChIKey of 1-N,1-N,4-N,4-N-tetraethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
The InChIKey is DSLMVWVXAYXNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O2/c1-7-17(8-2)13(21)19-11(5)16-20(12(6)15-19)14(22)18(9-3)10-4/h7-10H2,1-6H3.
What are the key properties of 1-N,1-N,4-N,4-N-tetraethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
1-N,1-N,4-N,4-N-tetraethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N-tetraethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide is sourced from PubChem (CID 71487625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).