3,6-dimethyl-1-N,1-N,4-N,4-N-tetra(propan-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide

C18H34N6O2 — CID 71487646

IUPAC3,6-dimethyl-1-N,1-N,4-N,4-N-tetra(propan-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide
SMILESCC1=NN(C(=O)N(C(C)C)C(C)C)C(C)=NN1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C18H34N6O2/c1-11(2)21(12(3)4)17(25)23-15(9)20-24(16(10)19-23)18(26)22(13(5)6)14(7)8/h11-14H,1-10H3
InChIKeyCHWYQNAZOISGHO-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.75
Rot. Bonds4

About 3,6-dimethyl-1-N,1-N,4-N,4-N-tetra(propan-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide

3,6-dimethyl-1-N,1-N,4-N,4-N-tetra(propan-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide (PubChem CID 71487646) has the molecular formula C18H34N6O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3,6-dimethyl-1-N,1-N,4-N,4-N-tetra(propan-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide.

Molecular Properties

Compound Name3,6-dimethyl-1-N,1-N,4-N,4-N-tetra(propan-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide
PubChem CID71487646
Molecular FormulaC18H34N6O2
Molecular Weight366.51 g/mol
Exact Mass366.27
IUPAC Name3,6-dimethyl-1-N,1-N,4-N,4-N-tetra(propan-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide
SMILESCC1=NN(C(=O)N(C(C)C)C(C)C)C(C)=NN1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C18H34N6O2/c1-11(2)21(12(3)4)17(25)23-15(9)20-24(16(10)19-23)18(26)22(13(5)6)14(7)8/h11-14H,1-10H3
InChIKeyCHWYQNAZOISGHO-UHFFFAOYSA-N
XLogP3.75
TPSA71.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-N,1-N,4-N,4-N-tetra(propan-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide?
The IUPAC name of 3,6-dimethyl-1-N,1-N,4-N,4-N-tetra(propan-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide (CID 71487646) is 3,6-dimethyl-1-N,1-N,4-N,4-N-tetra(propan-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide.
What is the SMILES notation for 3,6-dimethyl-1-N,1-N,4-N,4-N-tetra(propan-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide?
The canonical SMILES for 3,6-dimethyl-1-N,1-N,4-N,4-N-tetra(propan-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide is CC1=NN(C(=O)N(C(C)C)C(C)C)C(C)=NN1C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 3,6-dimethyl-1-N,1-N,4-N,4-N-tetra(propan-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide?
The InChIKey is CHWYQNAZOISGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N6O2/c1-11(2)21(12(3)4)17(25)23-15(9)20-24(16(10)19-23)18(26)22(13(5)6)14(7)8/h11-14H,1-10H3.
What are the key properties of 3,6-dimethyl-1-N,1-N,4-N,4-N-tetra(propan-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide?
3,6-dimethyl-1-N,1-N,4-N,4-N-tetra(propan-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide has a molecular weight of 366.51 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-N,1-N,4-N,4-N-tetra(propan-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide is sourced from PubChem (CID 71487646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).