7-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C13H20N6O2 — CID 79095534

IUPAC7-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCCc1nn(C)c(C(=O)N2CCN3C(=O)NCC3C2)c1N
InChIInChI=1S/C13H20N6O2/c1-3-9-10(14)11(17(2)16-9)12(20)18-4-5-19-8(7-18)6-15-13(19)21/h8H,3-7,14H2,1-2H3,(H,15,21)
InChIKeyBFDJGQPQIIEJJV-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.59
Rot. Bonds2

About 7-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79095534) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 7-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79095534
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name7-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCCc1nn(C)c(C(=O)N2CCN3C(=O)NCC3C2)c1N
InChIInChI=1S/C13H20N6O2/c1-3-9-10(14)11(17(2)16-9)12(20)18-4-5-19-8(7-18)6-15-13(19)21/h8H,3-7,14H2,1-2H3,(H,15,21)
InChIKeyBFDJGQPQIIEJJV-UHFFFAOYSA-N
XLogP-0.59
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79095534) is 7-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CCc1nn(C)c(C(=O)N2CCN3C(=O)NCC3C2)c1N.
What is the InChIKey of 7-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is BFDJGQPQIIEJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-3-9-10(14)11(17(2)16-9)12(20)18-4-5-19-8(7-18)6-15-13(19)21/h8H,3-7,14H2,1-2H3,(H,15,21).
What are the key properties of 7-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 292.34 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79095534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).