3,6-dimethyl-1-N,4-N-bis(2-methylpropyl)-1,2,4,5-tetrazine-1,4-dicarboxamide

C14H26N6O2 — CID 71487621

IUPAC3,6-dimethyl-1-N,4-N-bis(2-methylpropyl)-1,2,4,5-tetrazine-1,4-dicarboxamide
SMILESCC1=NN(C(=O)NCC(C)C)C(C)=NN1C(=O)NCC(C)C
InChIInChI=1S/C14H26N6O2/c1-9(2)7-15-13(21)19-11(5)18-20(12(6)17-19)14(22)16-8-10(3)4/h9-10H,7-8H2,1-6H3,(H,15,21)(H,16,22)
InChIKeyALGKRSYTDDNZBU-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.00
Rot. Bonds4

About 3,6-dimethyl-1-N,4-N-bis(2-methylpropyl)-1,2,4,5-tetrazine-1,4-dicarboxamide

3,6-dimethyl-1-N,4-N-bis(2-methylpropyl)-1,2,4,5-tetrazine-1,4-dicarboxamide (PubChem CID 71487621) has the molecular formula C14H26N6O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3,6-dimethyl-1-N,4-N-bis(2-methylpropyl)-1,2,4,5-tetrazine-1,4-dicarboxamide.

Molecular Properties

Compound Name3,6-dimethyl-1-N,4-N-bis(2-methylpropyl)-1,2,4,5-tetrazine-1,4-dicarboxamide
PubChem CID71487621
Molecular FormulaC14H26N6O2
Molecular Weight310.40 g/mol
Exact Mass310.21
IUPAC Name3,6-dimethyl-1-N,4-N-bis(2-methylpropyl)-1,2,4,5-tetrazine-1,4-dicarboxamide
SMILESCC1=NN(C(=O)NCC(C)C)C(C)=NN1C(=O)NCC(C)C
InChIInChI=1S/C14H26N6O2/c1-9(2)7-15-13(21)19-11(5)18-20(12(6)17-19)14(22)16-8-10(3)4/h9-10H,7-8H2,1-6H3,(H,15,21)(H,16,22)
InChIKeyALGKRSYTDDNZBU-UHFFFAOYSA-N
XLogP2.00
TPSA89.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-N,4-N-bis(2-methylpropyl)-1,2,4,5-tetrazine-1,4-dicarboxamide?
The IUPAC name of 3,6-dimethyl-1-N,4-N-bis(2-methylpropyl)-1,2,4,5-tetrazine-1,4-dicarboxamide (CID 71487621) is 3,6-dimethyl-1-N,4-N-bis(2-methylpropyl)-1,2,4,5-tetrazine-1,4-dicarboxamide.
What is the SMILES notation for 3,6-dimethyl-1-N,4-N-bis(2-methylpropyl)-1,2,4,5-tetrazine-1,4-dicarboxamide?
The canonical SMILES for 3,6-dimethyl-1-N,4-N-bis(2-methylpropyl)-1,2,4,5-tetrazine-1,4-dicarboxamide is CC1=NN(C(=O)NCC(C)C)C(C)=NN1C(=O)NCC(C)C.
What is the InChIKey of 3,6-dimethyl-1-N,4-N-bis(2-methylpropyl)-1,2,4,5-tetrazine-1,4-dicarboxamide?
The InChIKey is ALGKRSYTDDNZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O2/c1-9(2)7-15-13(21)19-11(5)18-20(12(6)17-19)14(22)16-8-10(3)4/h9-10H,7-8H2,1-6H3,(H,15,21)(H,16,22).
What are the key properties of 3,6-dimethyl-1-N,4-N-bis(2-methylpropyl)-1,2,4,5-tetrazine-1,4-dicarboxamide?
3,6-dimethyl-1-N,4-N-bis(2-methylpropyl)-1,2,4,5-tetrazine-1,4-dicarboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-N,4-N-bis(2-methylpropyl)-1,2,4,5-tetrazine-1,4-dicarboxamide is sourced from PubChem (CID 71487621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).