5-[(4-hydroxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

C13H18N4O2 — CID 66716178

IUPAC5-[(4-hydroxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CNc2nccnc2N1CC1CCC(O)CC1
InChIInChI=1S/C13H18N4O2/c18-10-3-1-9(2-4-10)8-17-11(19)7-16-12-13(17)15-6-5-14-12/h5-6,9-10,18H,1-4,7-8H2,(H,14,16)
InChIKeyGJWVRPYSNWUVJJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.79
Rot. Bonds2

About 5-[(4-hydroxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

5-[(4-hydroxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 66716178) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-[(4-hydroxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name5-[(4-hydroxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID66716178
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-[(4-hydroxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CNc2nccnc2N1CC1CCC(O)CC1
InChIInChI=1S/C13H18N4O2/c18-10-3-1-9(2-4-10)8-17-11(19)7-16-12-13(17)15-6-5-14-12/h5-6,9-10,18H,1-4,7-8H2,(H,14,16)
InChIKeyGJWVRPYSNWUVJJ-UHFFFAOYSA-N
XLogP0.79
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 5-[(4-hydroxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 66716178) is 5-[(4-hydroxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 5-[(4-hydroxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 5-[(4-hydroxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is O=C1CNc2nccnc2N1CC1CCC(O)CC1.
What is the InChIKey of 5-[(4-hydroxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is GJWVRPYSNWUVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-10-3-1-9(2-4-10)8-17-11(19)7-16-12-13(17)15-6-5-14-12/h5-6,9-10,18H,1-4,7-8H2,(H,14,16).
What are the key properties of 5-[(4-hydroxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
5-[(4-hydroxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 262.31 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 66716178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).