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

C13H18N4O — CID 68620302

IUPAC5-(cyclohexylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CNc2nccnc2N1CC1CCCCC1
InChIInChI=1S/C13H18N4O/c18-11-8-16-12-13(15-7-6-14-12)17(11)9-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,14,16)
InChIKeyBBEUSLPTFUUEPV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.82
Rot. Bonds2

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

5-(cyclohexylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 68620302) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID68620302
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-(cyclohexylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CNc2nccnc2N1CC1CCCCC1
InChIInChI=1S/C13H18N4O/c18-11-8-16-12-13(15-7-6-14-12)17(11)9-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,14,16)
InChIKeyBBEUSLPTFUUEPV-UHFFFAOYSA-N
XLogP1.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 5-(cyclohexylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 68620302) is 5-(cyclohexylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 5-(cyclohexylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 5-(cyclohexylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is O=C1CNc2nccnc2N1CC1CCCCC1.
What is the InChIKey of 5-(cyclohexylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is BBEUSLPTFUUEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c18-11-8-16-12-13(15-7-6-14-12)17(11)9-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,14,16).
What are the key properties of 5-(cyclohexylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
5-(cyclohexylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 246.31 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 68620302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).