2-(5-methylimidazo[1,2-a]pyrazin-2-yl)acetic acid;dihydrochloride

C9H11Cl2N3O2 — CID 146155765

IUPAC2-(5-methylimidazo[1,2-a]pyrazin-2-yl)acetic acid;dihydrochloride
SMILESCc1cncc2nc(CC(=O)O)cn12.Cl.Cl
InChIInChI=1S/C9H9N3O2.2ClH/c1-6-3-10-4-8-11-7(2-9(13)14)5-12(6)8;;/h3-5H,2H2,1H3,(H,13,14);2*1H
InChIKeyCMHWIDHUBKMMGD-UHFFFAOYSA-N
MW264.11 g/mol
LogP1.51
Rot. Bonds2

About 2-(5-methylimidazo[1,2-a]pyrazin-2-yl)acetic acid;dihydrochloride

2-(5-methylimidazo[1,2-a]pyrazin-2-yl)acetic acid;dihydrochloride (PubChem CID 146155765) has the molecular formula C9H11Cl2N3O2 and a molecular weight of 264.11 g/mol. Its IUPAC name is 2-(5-methylimidazo[1,2-a]pyrazin-2-yl)acetic acid;dihydrochloride.

Molecular Properties

Compound Name2-(5-methylimidazo[1,2-a]pyrazin-2-yl)acetic acid;dihydrochloride
PubChem CID146155765
Molecular FormulaC9H11Cl2N3O2
Molecular Weight264.11 g/mol
Exact Mass263.02
IUPAC Name2-(5-methylimidazo[1,2-a]pyrazin-2-yl)acetic acid;dihydrochloride
SMILESCc1cncc2nc(CC(=O)O)cn12.Cl.Cl
InChIInChI=1S/C9H9N3O2.2ClH/c1-6-3-10-4-8-11-7(2-9(13)14)5-12(6)8;;/h3-5H,2H2,1H3,(H,13,14);2*1H
InChIKeyCMHWIDHUBKMMGD-UHFFFAOYSA-N
XLogP1.51
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylimidazo[1,2-a]pyrazin-2-yl)acetic acid;dihydrochloride?
The IUPAC name of 2-(5-methylimidazo[1,2-a]pyrazin-2-yl)acetic acid;dihydrochloride (CID 146155765) is 2-(5-methylimidazo[1,2-a]pyrazin-2-yl)acetic acid;dihydrochloride.
What is the SMILES notation for 2-(5-methylimidazo[1,2-a]pyrazin-2-yl)acetic acid;dihydrochloride?
The canonical SMILES for 2-(5-methylimidazo[1,2-a]pyrazin-2-yl)acetic acid;dihydrochloride is Cc1cncc2nc(CC(=O)O)cn12.Cl.Cl.
What is the InChIKey of 2-(5-methylimidazo[1,2-a]pyrazin-2-yl)acetic acid;dihydrochloride?
The InChIKey is CMHWIDHUBKMMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2.2ClH/c1-6-3-10-4-8-11-7(2-9(13)14)5-12(6)8;;/h3-5H,2H2,1H3,(H,13,14);2*1H.
What are the key properties of 2-(5-methylimidazo[1,2-a]pyrazin-2-yl)acetic acid;dihydrochloride?
2-(5-methylimidazo[1,2-a]pyrazin-2-yl)acetic acid;dihydrochloride has a molecular weight of 264.11 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylimidazo[1,2-a]pyrazin-2-yl)acetic acid;dihydrochloride is sourced from PubChem (CID 146155765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).