(8aR)-7-(6-ethylsulfanylpyrazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C12H17N5OS — CID 95974307

IUPAC(8aR)-7-(6-ethylsulfanylpyrazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCCSc1cncc(N2CCN3C(=O)NC[C@@H]3C2)n1
InChIInChI=1S/C12H17N5OS/c1-2-19-11-7-13-6-10(15-11)16-3-4-17-9(8-16)5-14-12(17)18/h6-7,9H,2-5,8H2,1H3,(H,14,18)/t9-/m1/s1
InChIKeyKIAPZANNXIRZJU-SECBINFHSA-N
MW279.37 g/mol
LogP0.80
Rot. Bonds3

About (8aR)-7-(6-ethylsulfanylpyrazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

(8aR)-7-(6-ethylsulfanylpyrazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 95974307) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is (8aR)-7-(6-ethylsulfanylpyrazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-7-(6-ethylsulfanylpyrazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID95974307
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name(8aR)-7-(6-ethylsulfanylpyrazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCCSc1cncc(N2CCN3C(=O)NC[C@@H]3C2)n1
InChIInChI=1S/C12H17N5OS/c1-2-19-11-7-13-6-10(15-11)16-3-4-17-9(8-16)5-14-12(17)18/h6-7,9H,2-5,8H2,1H3,(H,14,18)/t9-/m1/s1
InChIKeyKIAPZANNXIRZJU-SECBINFHSA-N
XLogP0.80
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (8aR)-7-(6-ethylsulfanylpyrazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

7-[6-(ethylamino)-2-methylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80848239
7-(3-amino-4-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091949
7-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 137009803
(8aR)-7-(5-chloro-8-methylquinolin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 97340632
7-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80637251
1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one
CID 133390053
7-[6-(1-hydroxypropyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 115940487
7-(5-iodopyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095260
7-[4-(ethylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092125
7-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80958788
7-[6-(aminomethyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 115487083
(8aS)-7-(3-fluoro-5-propan-2-yl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 176651071

Frequently Asked Questions

What is the IUPAC name of (8aR)-7-(6-ethylsulfanylpyrazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-7-(6-ethylsulfanylpyrazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 95974307) is (8aR)-7-(6-ethylsulfanylpyrazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-7-(6-ethylsulfanylpyrazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-7-(6-ethylsulfanylpyrazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CCSc1cncc(N2CCN3C(=O)NC[C@@H]3C2)n1.
What is the InChIKey of (8aR)-7-(6-ethylsulfanylpyrazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is KIAPZANNXIRZJU-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-2-19-11-7-13-6-10(15-11)16-3-4-17-9(8-16)5-14-12(17)18/h6-7,9H,2-5,8H2,1H3,(H,14,18)/t9-/m1/s1.
What are the key properties of (8aR)-7-(6-ethylsulfanylpyrazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
(8aR)-7-(6-ethylsulfanylpyrazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 279.37 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-(6-ethylsulfanylpyrazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 95974307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).