3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

C20H22N8O2 — CID 59453029

IUPAC3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCc1nc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)N(CC1CCOCC1)C(=O)CN2
InChIInChI=1S/C20H22N8O2/c1-12-14(2-3-15(25-12)18-23-11-24-27-18)16-8-21-19-20(26-16)28(17(29)9-22-19)10-13-4-6-30-7-5-13/h2-3,8,11,13H,4-7,9-10H2,1H3,(H,21,22)(H,23,24,27)
InChIKeyGSZOKDIAJHWSJC-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.82
Rot. Bonds4

About 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 59453029) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID59453029
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCc1nc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)N(CC1CCOCC1)C(=O)CN2
InChIInChI=1S/C20H22N8O2/c1-12-14(2-3-15(25-12)18-23-11-24-27-18)16-8-21-19-20(26-16)28(17(29)9-22-19)10-13-4-6-30-7-5-13/h2-3,8,11,13H,4-7,9-10H2,1H3,(H,21,22)(H,23,24,27)
InChIKeyGSZOKDIAJHWSJC-UHFFFAOYSA-N
XLogP1.82
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 59453029) is 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is Cc1nc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)N(CC1CCOCC1)C(=O)CN2.
What is the InChIKey of 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is GSZOKDIAJHWSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-12-14(2-3-15(25-12)18-23-11-24-27-18)16-8-21-19-20(26-16)28(17(29)9-22-19)10-13-4-6-30-7-5-13/h2-3,8,11,13H,4-7,9-10H2,1H3,(H,21,22)(H,23,24,27).
What are the key properties of 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 406.45 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(oxan-4-ylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 59453029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).