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

C10H18N6O2 — CID 71487731

IUPAC1-N,4-N-diethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
SMILESCCNC(=O)N1N=C(C)N(C(=O)NCC)N=C1C
InChIInChI=1S/C10H18N6O2/c1-5-11-9(17)15-7(3)14-16(8(4)13-15)10(18)12-6-2/h5-6H2,1-4H3,(H,11,17)(H,12,18)
InChIKeyDXCNQKUJGQNTGW-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.73
Rot. Bonds2

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

1-N,4-N-diethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide (PubChem CID 71487731) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-N,4-N-diethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-diethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
PubChem CID71487731
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name1-N,4-N-diethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
SMILESCCNC(=O)N1N=C(C)N(C(=O)NCC)N=C1C
InChIInChI=1S/C10H18N6O2/c1-5-11-9(17)15-7(3)14-16(8(4)13-15)10(18)12-6-2/h5-6H2,1-4H3,(H,11,17)(H,12,18)
InChIKeyDXCNQKUJGQNTGW-UHFFFAOYSA-N
XLogP0.73
TPSA89.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.73
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-diethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-diethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide (CID 71487731) is 1-N,4-N-diethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-diethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-diethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide is CCNC(=O)N1N=C(C)N(C(=O)NCC)N=C1C.
What is the InChIKey of 1-N,4-N-diethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
The InChIKey is DXCNQKUJGQNTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2/c1-5-11-9(17)15-7(3)14-16(8(4)13-15)10(18)12-6-2/h5-6H2,1-4H3,(H,11,17)(H,12,18).
What are the key properties of 1-N,4-N-diethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide?
1-N,4-N-diethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide has a molecular weight of 254.29 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-diethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide is sourced from PubChem (CID 71487731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).