7-ethyl-3-propan-2-yl-2,8-dihydropyrido[1,2-a]pyrazin-1-one

C13H18N2O — CID 165060974

IUPAC7-ethyl-3-propan-2-yl-2,8-dihydropyrido[1,2-a]pyrazin-1-one
SMILESCCC1=CN2C=C(C(C)C)NC(=O)C2=CC1
InChIInChI=1S/C13H18N2O/c1-4-10-5-6-12-13(16)14-11(9(2)3)8-15(12)7-10/h6-9H,4-5H2,1-3H3,(H,14,16)
InChIKeyRERNMUGTYCXNIZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.50
Rot. Bonds2

About 7-ethyl-3-propan-2-yl-2,8-dihydropyrido[1,2-a]pyrazin-1-one

7-ethyl-3-propan-2-yl-2,8-dihydropyrido[1,2-a]pyrazin-1-one (PubChem CID 165060974) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 7-ethyl-3-propan-2-yl-2,8-dihydropyrido[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-ethyl-3-propan-2-yl-2,8-dihydropyrido[1,2-a]pyrazin-1-one
PubChem CID165060974
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name7-ethyl-3-propan-2-yl-2,8-dihydropyrido[1,2-a]pyrazin-1-one
SMILESCCC1=CN2C=C(C(C)C)NC(=O)C2=CC1
InChIInChI=1S/C13H18N2O/c1-4-10-5-6-12-13(16)14-11(9(2)3)8-15(12)7-10/h6-9H,4-5H2,1-3H3,(H,14,16)
InChIKeyRERNMUGTYCXNIZ-UHFFFAOYSA-N
XLogP2.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-propan-2-yl-2,8-dihydropyrido[1,2-a]pyrazin-1-one?
The IUPAC name of 7-ethyl-3-propan-2-yl-2,8-dihydropyrido[1,2-a]pyrazin-1-one (CID 165060974) is 7-ethyl-3-propan-2-yl-2,8-dihydropyrido[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-ethyl-3-propan-2-yl-2,8-dihydropyrido[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-ethyl-3-propan-2-yl-2,8-dihydropyrido[1,2-a]pyrazin-1-one is CCC1=CN2C=C(C(C)C)NC(=O)C2=CC1.
What is the InChIKey of 7-ethyl-3-propan-2-yl-2,8-dihydropyrido[1,2-a]pyrazin-1-one?
The InChIKey is RERNMUGTYCXNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-10-5-6-12-13(16)14-11(9(2)3)8-15(12)7-10/h6-9H,4-5H2,1-3H3,(H,14,16).
What are the key properties of 7-ethyl-3-propan-2-yl-2,8-dihydropyrido[1,2-a]pyrazin-1-one?
7-ethyl-3-propan-2-yl-2,8-dihydropyrido[1,2-a]pyrazin-1-one has a molecular weight of 218.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-propan-2-yl-2,8-dihydropyrido[1,2-a]pyrazin-1-one is sourced from PubChem (CID 165060974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).