6-[3-(1,5-dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl)phenyl]-2,4-dimethyl-1,2,4,5-tetrazinan-3-one

C14H22N8O2 — CID 10759146

IUPAC6-[3-(1,5-dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl)phenyl]-2,4-dimethyl-1,2,4,5-tetrazinan-3-one
SMILESCN1NC(c2cccc(C3NN(C)C(=O)N(C)N3)c2)NN(C)C1=O
InChIInChI=1S/C14H22N8O2/c1-19-13(23)20(2)16-11(15-19)9-6-5-7-10(8-9)12-17-21(3)14(24)22(4)18-12/h5-8,11-12,15-18H,1-4H3
InChIKeyXEAHUZOXYVMCEX-UHFFFAOYSA-N
MW334.38 g/mol
LogP-0.30
Rot. Bonds2

About 6-[3-(1,5-dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl)phenyl]-2,4-dimethyl-1,2,4,5-tetrazinan-3-one

6-[3-(1,5-dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl)phenyl]-2,4-dimethyl-1,2,4,5-tetrazinan-3-one (PubChem CID 10759146) has the molecular formula C14H22N8O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-[3-(1,5-dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl)phenyl]-2,4-dimethyl-1,2,4,5-tetrazinan-3-one.

Molecular Properties

Compound Name6-[3-(1,5-dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl)phenyl]-2,4-dimethyl-1,2,4,5-tetrazinan-3-one
PubChem CID10759146
Molecular FormulaC14H22N8O2
Molecular Weight334.38 g/mol
Exact Mass334.19
IUPAC Name6-[3-(1,5-dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl)phenyl]-2,4-dimethyl-1,2,4,5-tetrazinan-3-one
SMILESCN1NC(c2cccc(C3NN(C)C(=O)N(C)N3)c2)NN(C)C1=O
InChIInChI=1S/C14H22N8O2/c1-19-13(23)20(2)16-11(15-19)9-6-5-7-10(8-9)12-17-21(3)14(24)22(4)18-12/h5-8,11-12,15-18H,1-4H3
InChIKeyXEAHUZOXYVMCEX-UHFFFAOYSA-N
XLogP-0.30
TPSA95.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(1,5-dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl)phenyl]-2,4-dimethyl-1,2,4,5-tetrazinan-3-one?
The IUPAC name of 6-[3-(1,5-dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl)phenyl]-2,4-dimethyl-1,2,4,5-tetrazinan-3-one (CID 10759146) is 6-[3-(1,5-dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl)phenyl]-2,4-dimethyl-1,2,4,5-tetrazinan-3-one.
What is the SMILES notation for 6-[3-(1,5-dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl)phenyl]-2,4-dimethyl-1,2,4,5-tetrazinan-3-one?
The canonical SMILES for 6-[3-(1,5-dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl)phenyl]-2,4-dimethyl-1,2,4,5-tetrazinan-3-one is CN1NC(c2cccc(C3NN(C)C(=O)N(C)N3)c2)NN(C)C1=O.
What is the InChIKey of 6-[3-(1,5-dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl)phenyl]-2,4-dimethyl-1,2,4,5-tetrazinan-3-one?
The InChIKey is XEAHUZOXYVMCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N8O2/c1-19-13(23)20(2)16-11(15-19)9-6-5-7-10(8-9)12-17-21(3)14(24)22(4)18-12/h5-8,11-12,15-18H,1-4H3.
What are the key properties of 6-[3-(1,5-dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl)phenyl]-2,4-dimethyl-1,2,4,5-tetrazinan-3-one?
6-[3-(1,5-dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl)phenyl]-2,4-dimethyl-1,2,4,5-tetrazinan-3-one has a molecular weight of 334.38 g/mol, XLogP of -0.30, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1,5-dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl)phenyl]-2,4-dimethyl-1,2,4,5-tetrazinan-3-one is sourced from PubChem (CID 10759146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).