2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrimidine

C7H15N3 — CID 91218525

IUPAC2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrimidine
SMILESC1CNC2CNCCN2C1
InChIInChI=1S/C7H15N3/c1-2-9-7-6-8-3-5-10(7)4-1/h7-9H,1-6H2
InChIKeyZMVLYVFPMIREDT-UHFFFAOYSA-N
MW141.22 g/mol
LogP-0.79
Rot. Bonds

About 2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrimidine

2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrimidine (PubChem CID 91218525) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrimidine.

Molecular Properties

Compound Name2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrimidine
PubChem CID91218525
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrimidine
SMILESC1CNC2CNCCN2C1
InChIInChI=1S/C7H15N3/c1-2-9-7-6-8-3-5-10(7)4-1/h7-9H,1-6H2
InChIKeyZMVLYVFPMIREDT-UHFFFAOYSA-N
XLogP-0.79
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrimidine?
The IUPAC name of 2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrimidine (CID 91218525) is 2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrimidine.
What is the SMILES notation for 2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrimidine?
The canonical SMILES for 2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrimidine is C1CNC2CNCCN2C1.
What is the InChIKey of 2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrimidine?
The InChIKey is ZMVLYVFPMIREDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-2-9-7-6-8-3-5-10(7)4-1/h7-9H,1-6H2.
What are the key properties of 2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrimidine?
2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrimidine has a molecular weight of 141.22 g/mol, XLogP of -0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrimidine is sourced from PubChem (CID 91218525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).