methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)propanoate;dihydrochloride

C10H17Cl2N3O2 — CID 155858733

IUPACmethyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)propanoate;dihydrochloride
SMILESCOC(=O)CCc1cnc2n1CCNC2.Cl.Cl
InChIInChI=1S/C10H15N3O2.2ClH/c1-15-10(14)3-2-8-6-12-9-7-11-4-5-13(8)9;;/h6,11H,2-5,7H2,1H3;2*1H
InChIKeyLFBPCZCNIUWFFT-UHFFFAOYSA-N
MW282.17 g/mol
LogP0.94
Rot. Bonds3

About methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)propanoate;dihydrochloride

methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)propanoate;dihydrochloride (PubChem CID 155858733) has the molecular formula C10H17Cl2N3O2 and a molecular weight of 282.17 g/mol. Its IUPAC name is methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)propanoate;dihydrochloride.

Molecular Properties

Compound Namemethyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)propanoate;dihydrochloride
PubChem CID155858733
Molecular FormulaC10H17Cl2N3O2
Molecular Weight282.17 g/mol
Exact Mass281.07
IUPAC Namemethyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)propanoate;dihydrochloride
SMILESCOC(=O)CCc1cnc2n1CCNC2.Cl.Cl
InChIInChI=1S/C10H15N3O2.2ClH/c1-15-10(14)3-2-8-6-12-9-7-11-4-5-13(8)9;;/h6,11H,2-5,7H2,1H3;2*1H
InChIKeyLFBPCZCNIUWFFT-UHFFFAOYSA-N
XLogP0.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)propanoate;dihydrochloride?
The IUPAC name of methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)propanoate;dihydrochloride (CID 155858733) is methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)propanoate;dihydrochloride.
What is the SMILES notation for methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)propanoate;dihydrochloride?
The canonical SMILES for methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)propanoate;dihydrochloride is COC(=O)CCc1cnc2n1CCNC2.Cl.Cl.
What is the InChIKey of methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)propanoate;dihydrochloride?
The InChIKey is LFBPCZCNIUWFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.2ClH/c1-15-10(14)3-2-8-6-12-9-7-11-4-5-13(8)9;;/h6,11H,2-5,7H2,1H3;2*1H.
What are the key properties of methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)propanoate;dihydrochloride?
methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)propanoate;dihydrochloride has a molecular weight of 282.17 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)propanoate;dihydrochloride is sourced from PubChem (CID 155858733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).