4-ethyl-1,2-dimethyl-6-[2-methyl-6-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2H-pyrazino[2,3-b]pyrazin-3-one

C19H22N8O — CID 134259421

IUPAC4-ethyl-1,2-dimethyl-6-[2-methyl-6-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2H-pyrazino[2,3-b]pyrazin-3-one
SMILESCCN1C(=O)C(C)N(C)c2ncc(-c3ccc(-c4nncn4C)nc3C)nc21
InChIInChI=1S/C19H22N8O/c1-6-27-18-17(26(5)12(3)19(27)28)20-9-15(23-18)13-7-8-14(22-11(13)2)16-24-21-10-25(16)4/h7-10,12H,6H2,1-5H3
InChIKeyJZQGQBFNAAVZMC-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.83
Rot. Bonds3

About 4-ethyl-1,2-dimethyl-6-[2-methyl-6-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2H-pyrazino[2,3-b]pyrazin-3-one

4-ethyl-1,2-dimethyl-6-[2-methyl-6-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2H-pyrazino[2,3-b]pyrazin-3-one (PubChem CID 134259421) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-ethyl-1,2-dimethyl-6-[2-methyl-6-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2H-pyrazino[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-ethyl-1,2-dimethyl-6-[2-methyl-6-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2H-pyrazino[2,3-b]pyrazin-3-one
PubChem CID134259421
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name4-ethyl-1,2-dimethyl-6-[2-methyl-6-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2H-pyrazino[2,3-b]pyrazin-3-one
SMILESCCN1C(=O)C(C)N(C)c2ncc(-c3ccc(-c4nncn4C)nc3C)nc21
InChIInChI=1S/C19H22N8O/c1-6-27-18-17(26(5)12(3)19(27)28)20-9-15(23-18)13-7-8-14(22-11(13)2)16-24-21-10-25(16)4/h7-10,12H,6H2,1-5H3
InChIKeyJZQGQBFNAAVZMC-UHFFFAOYSA-N
XLogP1.83
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,2-dimethyl-6-[2-methyl-6-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2H-pyrazino[2,3-b]pyrazin-3-one?
The IUPAC name of 4-ethyl-1,2-dimethyl-6-[2-methyl-6-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2H-pyrazino[2,3-b]pyrazin-3-one (CID 134259421) is 4-ethyl-1,2-dimethyl-6-[2-methyl-6-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2H-pyrazino[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-ethyl-1,2-dimethyl-6-[2-methyl-6-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2H-pyrazino[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-ethyl-1,2-dimethyl-6-[2-methyl-6-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2H-pyrazino[2,3-b]pyrazin-3-one is CCN1C(=O)C(C)N(C)c2ncc(-c3ccc(-c4nncn4C)nc3C)nc21.
What is the InChIKey of 4-ethyl-1,2-dimethyl-6-[2-methyl-6-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2H-pyrazino[2,3-b]pyrazin-3-one?
The InChIKey is JZQGQBFNAAVZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-6-27-18-17(26(5)12(3)19(27)28)20-9-15(23-18)13-7-8-14(22-11(13)2)16-24-21-10-25(16)4/h7-10,12H,6H2,1-5H3.
What are the key properties of 4-ethyl-1,2-dimethyl-6-[2-methyl-6-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2H-pyrazino[2,3-b]pyrazin-3-one?
4-ethyl-1,2-dimethyl-6-[2-methyl-6-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2H-pyrazino[2,3-b]pyrazin-3-one has a molecular weight of 378.44 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,2-dimethyl-6-[2-methyl-6-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2H-pyrazino[2,3-b]pyrazin-3-one is sourced from PubChem (CID 134259421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).