1-(5-methylpyrazin-2-yl)ethanamine;dihydrochloride

C7H13Cl2N3 — CID 137411019

IUPAC1-(5-methylpyrazin-2-yl)ethanamine;dihydrochloride
SMILESCc1cnc(C(C)N)cn1.Cl.Cl
InChIInChI=1S/C7H11N3.2ClH/c1-5-3-10-7(4-9-5)6(2)8;;/h3-4,6H,8H2,1-2H3;2*1H
InChIKeyWTHMNXCGBGHZBX-UHFFFAOYSA-N
MW210.11 g/mol
LogP1.65
Rot. Bonds1

About 1-(5-methylpyrazin-2-yl)ethanamine;dihydrochloride

1-(5-methylpyrazin-2-yl)ethanamine;dihydrochloride (PubChem CID 137411019) has the molecular formula C7H13Cl2N3 and a molecular weight of 210.11 g/mol. Its IUPAC name is 1-(5-methylpyrazin-2-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(5-methylpyrazin-2-yl)ethanamine;dihydrochloride
PubChem CID137411019
Molecular FormulaC7H13Cl2N3
Molecular Weight210.11 g/mol
Exact Mass209.05
IUPAC Name1-(5-methylpyrazin-2-yl)ethanamine;dihydrochloride
SMILESCc1cnc(C(C)N)cn1.Cl.Cl
InChIInChI=1S/C7H11N3.2ClH/c1-5-3-10-7(4-9-5)6(2)8;;/h3-4,6H,8H2,1-2H3;2*1H
InChIKeyWTHMNXCGBGHZBX-UHFFFAOYSA-N
XLogP1.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrazin-2-yl)ethanamine;dihydrochloride?
The IUPAC name of 1-(5-methylpyrazin-2-yl)ethanamine;dihydrochloride (CID 137411019) is 1-(5-methylpyrazin-2-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 1-(5-methylpyrazin-2-yl)ethanamine;dihydrochloride?
The canonical SMILES for 1-(5-methylpyrazin-2-yl)ethanamine;dihydrochloride is Cc1cnc(C(C)N)cn1.Cl.Cl.
What is the InChIKey of 1-(5-methylpyrazin-2-yl)ethanamine;dihydrochloride?
The InChIKey is WTHMNXCGBGHZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.2ClH/c1-5-3-10-7(4-9-5)6(2)8;;/h3-4,6H,8H2,1-2H3;2*1H.
What are the key properties of 1-(5-methylpyrazin-2-yl)ethanamine;dihydrochloride?
1-(5-methylpyrazin-2-yl)ethanamine;dihydrochloride has a molecular weight of 210.11 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrazin-2-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 137411019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).