ethyl 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride

C12H18ClN3O2 — CID 177302939

IUPACethyl 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)c1nc(C2CC2)n2c1CNCC2.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-2-17-12(16)10-9-7-13-5-6-15(9)11(14-10)8-3-4-8;/h8,13H,2-7H2,1H3;1H
InChIKeyIEVJCADQRCFASH-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.46
Rot. Bonds3

About ethyl 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride

ethyl 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride (PubChem CID 177302939) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is ethyl 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride
PubChem CID177302939
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Nameethyl 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)c1nc(C2CC2)n2c1CNCC2.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-2-17-12(16)10-9-7-13-5-6-15(9)11(14-10)8-3-4-8;/h8,13H,2-7H2,1H3;1H
InChIKeyIEVJCADQRCFASH-UHFFFAOYSA-N
XLogP1.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride (CID 177302939) is ethyl 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride is CCOC(=O)c1nc(C2CC2)n2c1CNCC2.Cl.
What is the InChIKey of ethyl 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride?
The InChIKey is IEVJCADQRCFASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.ClH/c1-2-17-12(16)10-9-7-13-5-6-15(9)11(14-10)8-3-4-8;/h8,13H,2-7H2,1H3;1H.
What are the key properties of ethyl 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride?
ethyl 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 177302939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).