3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6-one

C12H15N3O — CID 11499513

IUPAC3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6-one
SMILESCN1CCN2c3ccccc3C(=O)NC2C1
InChIInChI=1S/C12H15N3O/c1-14-6-7-15-10-5-3-2-4-9(10)12(16)13-11(15)8-14/h2-5,11H,6-8H2,1H3,(H,13,16)
InChIKeyIPGSWYMYQZDDPK-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.51
Rot. Bonds

About 3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6-one

3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6-one (PubChem CID 11499513) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6-one.

Molecular Properties

Compound Name3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6-one
PubChem CID11499513
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6-one
SMILESCN1CCN2c3ccccc3C(=O)NC2C1
InChIInChI=1S/C12H15N3O/c1-14-6-7-15-10-5-3-2-4-9(10)12(16)13-11(15)8-14/h2-5,11H,6-8H2,1H3,(H,13,16)
InChIKeyIPGSWYMYQZDDPK-UHFFFAOYSA-N
XLogP0.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6-one?
The IUPAC name of 3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6-one (CID 11499513) is 3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6-one.
What is the SMILES notation for 3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6-one?
The canonical SMILES for 3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6-one is CN1CCN2c3ccccc3C(=O)NC2C1.
What is the InChIKey of 3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6-one?
The InChIKey is IPGSWYMYQZDDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-14-6-7-15-10-5-3-2-4-9(10)12(16)13-11(15)8-14/h2-5,11H,6-8H2,1H3,(H,13,16).
What are the key properties of 3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6-one?
3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6-one has a molecular weight of 217.27 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6-one is sourced from PubChem (CID 11499513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).