7-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one

C9H17N3O — CID 10856159

IUPAC7-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
SMILESCCN1CCC2CNCCN2C1=O
InChIInChI=1S/C9H17N3O/c1-2-11-5-3-8-7-10-4-6-12(8)9(11)13/h8,10H,2-7H2,1H3
InChIKeyFPWDPOUOYUCNNI-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.11
Rot. Bonds1

About 7-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one

7-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one (PubChem CID 10856159) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 7-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one.

Molecular Properties

Compound Name7-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
PubChem CID10856159
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name7-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
SMILESCCN1CCC2CNCCN2C1=O
InChIInChI=1S/C9H17N3O/c1-2-11-5-3-8-7-10-4-6-12(8)9(11)13/h8,10H,2-7H2,1H3
InChIKeyFPWDPOUOYUCNNI-UHFFFAOYSA-N
XLogP0.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
The IUPAC name of 7-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one (CID 10856159) is 7-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one.
What is the SMILES notation for 7-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
The canonical SMILES for 7-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one is CCN1CCC2CNCCN2C1=O.
What is the InChIKey of 7-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
The InChIKey is FPWDPOUOYUCNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-2-11-5-3-8-7-10-4-6-12(8)9(11)13/h8,10H,2-7H2,1H3.
What are the key properties of 7-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
7-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one has a molecular weight of 183.25 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one is sourced from PubChem (CID 10856159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).