5,6,8,10,11,11a-hexahydropyrazino[1,2-h][1,7]naphthyridin-9-one

C11H13N3O — CID 171786858

IUPAC5,6,8,10,11,11a-hexahydropyrazino[1,2-h][1,7]naphthyridin-9-one
SMILESO=C1CN2CCc3cccnc3C2CN1
InChIInChI=1S/C11H13N3O/c15-10-7-14-5-3-8-2-1-4-12-11(8)9(14)6-13-10/h1-2,4,9H,3,5-7H2,(H,13,15)
InChIKeyQTCMJGXXEUHHTF-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.11
Rot. Bonds

About 5,6,8,10,11,11a-hexahydropyrazino[1,2-h][1,7]naphthyridin-9-one

5,6,8,10,11,11a-hexahydropyrazino[1,2-h][1,7]naphthyridin-9-one (PubChem CID 171786858) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 5,6,8,10,11,11a-hexahydropyrazino[1,2-h][1,7]naphthyridin-9-one.

Molecular Properties

Compound Name5,6,8,10,11,11a-hexahydropyrazino[1,2-h][1,7]naphthyridin-9-one
PubChem CID171786858
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name5,6,8,10,11,11a-hexahydropyrazino[1,2-h][1,7]naphthyridin-9-one
SMILESO=C1CN2CCc3cccnc3C2CN1
InChIInChI=1S/C11H13N3O/c15-10-7-14-5-3-8-2-1-4-12-11(8)9(14)6-13-10/h1-2,4,9H,3,5-7H2,(H,13,15)
InChIKeyQTCMJGXXEUHHTF-UHFFFAOYSA-N
XLogP0.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,8,10,11,11a-hexahydropyrazino[1,2-h][1,7]naphthyridin-9-one?
The IUPAC name of 5,6,8,10,11,11a-hexahydropyrazino[1,2-h][1,7]naphthyridin-9-one (CID 171786858) is 5,6,8,10,11,11a-hexahydropyrazino[1,2-h][1,7]naphthyridin-9-one.
What is the SMILES notation for 5,6,8,10,11,11a-hexahydropyrazino[1,2-h][1,7]naphthyridin-9-one?
The canonical SMILES for 5,6,8,10,11,11a-hexahydropyrazino[1,2-h][1,7]naphthyridin-9-one is O=C1CN2CCc3cccnc3C2CN1.
What is the InChIKey of 5,6,8,10,11,11a-hexahydropyrazino[1,2-h][1,7]naphthyridin-9-one?
The InChIKey is QTCMJGXXEUHHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c15-10-7-14-5-3-8-2-1-4-12-11(8)9(14)6-13-10/h1-2,4,9H,3,5-7H2,(H,13,15).
What are the key properties of 5,6,8,10,11,11a-hexahydropyrazino[1,2-h][1,7]naphthyridin-9-one?
5,6,8,10,11,11a-hexahydropyrazino[1,2-h][1,7]naphthyridin-9-one has a molecular weight of 203.25 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8,10,11,11a-hexahydropyrazino[1,2-h][1,7]naphthyridin-9-one is sourced from PubChem (CID 171786858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).