ethyl 2-(3-aminopropyl)-3-oxoimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride

C12H17ClN4O3 — CID 155213643

IUPACethyl 2-(3-aminopropyl)-3-oxoimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)c1c2cnccn2c(=O)n1CCCN.Cl
InChIInChI=1S/C12H16N4O3.ClH/c1-2-19-11(17)10-9-8-14-5-7-15(9)12(18)16(10)6-3-4-13;/h5,7-8H,2-4,6,13H2,1H3;1H
InChIKeyXTLKLWIFKGEQGO-UHFFFAOYSA-N
MW300.75 g/mol
LogP0.44
Rot. Bonds5

About ethyl 2-(3-aminopropyl)-3-oxoimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride

ethyl 2-(3-aminopropyl)-3-oxoimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride (PubChem CID 155213643) has the molecular formula C12H17ClN4O3 and a molecular weight of 300.75 g/mol. Its IUPAC name is ethyl 2-(3-aminopropyl)-3-oxoimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(3-aminopropyl)-3-oxoimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride
PubChem CID155213643
Molecular FormulaC12H17ClN4O3
Molecular Weight300.75 g/mol
Exact Mass300.10
IUPAC Nameethyl 2-(3-aminopropyl)-3-oxoimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)c1c2cnccn2c(=O)n1CCCN.Cl
InChIInChI=1S/C12H16N4O3.ClH/c1-2-19-11(17)10-9-8-14-5-7-15(9)12(18)16(10)6-3-4-13;/h5,7-8H,2-4,6,13H2,1H3;1H
InChIKeyXTLKLWIFKGEQGO-UHFFFAOYSA-N
XLogP0.44
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-aminopropyl)-3-oxoimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-(3-aminopropyl)-3-oxoimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride (CID 155213643) is ethyl 2-(3-aminopropyl)-3-oxoimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-(3-aminopropyl)-3-oxoimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-(3-aminopropyl)-3-oxoimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride is CCOC(=O)c1c2cnccn2c(=O)n1CCCN.Cl.
What is the InChIKey of ethyl 2-(3-aminopropyl)-3-oxoimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride?
The InChIKey is XTLKLWIFKGEQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3.ClH/c1-2-19-11(17)10-9-8-14-5-7-15(9)12(18)16(10)6-3-4-13;/h5,7-8H,2-4,6,13H2,1H3;1H.
What are the key properties of ethyl 2-(3-aminopropyl)-3-oxoimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride?
ethyl 2-(3-aminopropyl)-3-oxoimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride has a molecular weight of 300.75 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-aminopropyl)-3-oxoimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 155213643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).