ethyl 2-[(8aS)-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-7-yl]acetate

C10H19N3O2 — CID 11715469

IUPACethyl 2-[(8aS)-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-7-yl]acetate
SMILESCCOC(=O)CN1CCN2CNC[C@H]2C1
InChIInChI=1S/C10H19N3O2/c1-2-15-10(14)7-12-3-4-13-8-11-5-9(13)6-12/h9,11H,2-8H2,1H3/t9-/m0/s1
InChIKeyUHDSRYQIMYTOOE-VIFPVBQESA-N
MW213.28 g/mol
LogP-0.90
Rot. Bonds3

About ethyl 2-[(8aS)-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-7-yl]acetate

ethyl 2-[(8aS)-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-7-yl]acetate (PubChem CID 11715469) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 2-[(8aS)-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-7-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(8aS)-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-7-yl]acetate
PubChem CID11715469
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Nameethyl 2-[(8aS)-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-7-yl]acetate
SMILESCCOC(=O)CN1CCN2CNC[C@H]2C1
InChIInChI=1S/C10H19N3O2/c1-2-15-10(14)7-12-3-4-13-8-11-5-9(13)6-12/h9,11H,2-8H2,1H3/t9-/m0/s1
InChIKeyUHDSRYQIMYTOOE-VIFPVBQESA-N
XLogP-0.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(8aS)-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-7-yl]acetate?
The IUPAC name of ethyl 2-[(8aS)-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-7-yl]acetate (CID 11715469) is ethyl 2-[(8aS)-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-7-yl]acetate.
What is the SMILES notation for ethyl 2-[(8aS)-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-7-yl]acetate?
The canonical SMILES for ethyl 2-[(8aS)-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-7-yl]acetate is CCOC(=O)CN1CCN2CNC[C@H]2C1.
What is the InChIKey of ethyl 2-[(8aS)-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-7-yl]acetate?
The InChIKey is UHDSRYQIMYTOOE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19N3O2/c1-2-15-10(14)7-12-3-4-13-8-11-5-9(13)6-12/h9,11H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of ethyl 2-[(8aS)-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-7-yl]acetate?
ethyl 2-[(8aS)-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-7-yl]acetate has a molecular weight of 213.28 g/mol, XLogP of -0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(8aS)-2,3,5,6,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-7-yl]acetate is sourced from PubChem (CID 11715469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).