3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen

C19H25N5O3 — CID 159072734

IUPAC3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen
SMILESCC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCOCC2)C(=O)CN3)cn1.[H][H]
InChIInChI=1S/C19H23N5O3.H2/c1-19(2,26)15-4-3-12(9-20-15)14-10-21-17-18(23-14)24(16(25)11-22-17)13-5-7-27-8-6-13;/h3-4,9-10,13,26H,5-8,11H2,1-2H3,(H,21,22);1H
InChIKeyJZWIOGBTHOOQDZ-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.95
Rot. Bonds3

About 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen

3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen (PubChem CID 159072734) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen.

Molecular Properties

Compound Name3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen
PubChem CID159072734
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen
SMILESCC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCOCC2)C(=O)CN3)cn1.[H][H]
InChIInChI=1S/C19H23N5O3.H2/c1-19(2,26)15-4-3-12(9-20-15)14-10-21-17-18(23-14)24(16(25)11-22-17)13-5-7-27-8-6-13;/h3-4,9-10,13,26H,5-8,11H2,1-2H3,(H,21,22);1H
InChIKeyJZWIOGBTHOOQDZ-UHFFFAOYSA-N
XLogP1.95
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen?
The IUPAC name of 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen (CID 159072734) is 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen.
What is the SMILES notation for 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen?
The canonical SMILES for 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen is CC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCOCC2)C(=O)CN3)cn1.[H][H].
What is the InChIKey of 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen?
The InChIKey is JZWIOGBTHOOQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3.H2/c1-19(2,26)15-4-3-12(9-20-15)14-10-21-17-18(23-14)24(16(25)11-22-17)13-5-7-27-8-6-13;/h3-4,9-10,13,26H,5-8,11H2,1-2H3,(H,21,22);1H.
What are the key properties of 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen?
3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen has a molecular weight of 371.44 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen is sourced from PubChem (CID 159072734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).