methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;dihydrochloride

C8H13Cl2N3O2 — CID 154866066

IUPACmethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;dihydrochloride
SMILESCOC(=O)c1cnc2n1CCNC2.Cl.Cl
InChIInChI=1S/C8H11N3O2.2ClH/c1-13-8(12)6-4-10-7-5-9-2-3-11(6)7;;/h4,9H,2-3,5H2,1H3;2*1H
InChIKeyJUSXXUJKPFQEIB-UHFFFAOYSA-N
MW254.12 g/mol
LogP0.62
Rot. Bonds1

About methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;dihydrochloride

methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;dihydrochloride (PubChem CID 154866066) has the molecular formula C8H13Cl2N3O2 and a molecular weight of 254.12 g/mol. Its IUPAC name is methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;dihydrochloride.

Molecular Properties

Compound Namemethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;dihydrochloride
PubChem CID154866066
Molecular FormulaC8H13Cl2N3O2
Molecular Weight254.12 g/mol
Exact Mass253.04
IUPAC Namemethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;dihydrochloride
SMILESCOC(=O)c1cnc2n1CCNC2.Cl.Cl
InChIInChI=1S/C8H11N3O2.2ClH/c1-13-8(12)6-4-10-7-5-9-2-3-11(6)7;;/h4,9H,2-3,5H2,1H3;2*1H
InChIKeyJUSXXUJKPFQEIB-UHFFFAOYSA-N
XLogP0.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;dihydrochloride?
The IUPAC name of methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;dihydrochloride (CID 154866066) is methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;dihydrochloride.
What is the SMILES notation for methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;dihydrochloride?
The canonical SMILES for methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;dihydrochloride is COC(=O)c1cnc2n1CCNC2.Cl.Cl.
What is the InChIKey of methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;dihydrochloride?
The InChIKey is JUSXXUJKPFQEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.2ClH/c1-13-8(12)6-4-10-7-5-9-2-3-11(6)7;;/h4,9H,2-3,5H2,1H3;2*1H.
What are the key properties of methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;dihydrochloride?
methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;dihydrochloride has a molecular weight of 254.12 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;dihydrochloride is sourced from PubChem (CID 154866066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).