7-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C11H15ClN6O2 — CID 79096304

IUPAC7-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCCOc1nc(Cl)nc(N2CCN3C(=O)NCC3C2)n1
InChIInChI=1S/C11H15ClN6O2/c1-2-20-10-15-8(12)14-9(16-10)17-3-4-18-7(6-17)5-13-11(18)19/h7H,2-6H2,1H3,(H,13,19)
InChIKeyOZPMVIPERQNFQH-UHFFFAOYSA-N
MW298.73 g/mol
LogP0.14
Rot. Bonds3

About 7-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79096304) has the molecular formula C11H15ClN6O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 7-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79096304
Molecular FormulaC11H15ClN6O2
Molecular Weight298.73 g/mol
Exact Mass298.09
IUPAC Name7-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCCOc1nc(Cl)nc(N2CCN3C(=O)NCC3C2)n1
InChIInChI=1S/C11H15ClN6O2/c1-2-20-10-15-8(12)14-9(16-10)17-3-4-18-7(6-17)5-13-11(18)19/h7H,2-6H2,1H3,(H,13,19)
InChIKeyOZPMVIPERQNFQH-UHFFFAOYSA-N
XLogP0.14
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79096304) is 7-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CCOc1nc(Cl)nc(N2CCN3C(=O)NCC3C2)n1.
What is the InChIKey of 7-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is OZPMVIPERQNFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6O2/c1-2-20-10-15-8(12)14-9(16-10)17-3-4-18-7(6-17)5-13-11(18)19/h7H,2-6H2,1H3,(H,13,19).
What are the key properties of 7-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 298.73 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79096304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).