(1S)-1-pyrazin-2-ylethanamine;dihydrochloride

C6H11Cl2N3 — CID 122163883

IUPAC(1S)-1-pyrazin-2-ylethanamine;dihydrochloride
SMILESC[C@H](N)c1cnccn1.Cl.Cl
InChIInChI=1S/C6H9N3.2ClH/c1-5(7)6-4-8-2-3-9-6;;/h2-5H,7H2,1H3;2*1H/t5-;;/m0../s1
InChIKeyDXTZMYLBMRESFK-XRIGFGBMSA-N
MW196.08 g/mol
LogP1.34
Rot. Bonds1

About (1S)-1-pyrazin-2-ylethanamine;dihydrochloride

(1S)-1-pyrazin-2-ylethanamine;dihydrochloride (PubChem CID 122163883) has the molecular formula C6H11Cl2N3 and a molecular weight of 196.08 g/mol. Its IUPAC name is (1S)-1-pyrazin-2-ylethanamine;dihydrochloride.

Molecular Properties

Compound Name(1S)-1-pyrazin-2-ylethanamine;dihydrochloride
PubChem CID122163883
Molecular FormulaC6H11Cl2N3
Molecular Weight196.08 g/mol
Exact Mass195.03
IUPAC Name(1S)-1-pyrazin-2-ylethanamine;dihydrochloride
SMILESC[C@H](N)c1cnccn1.Cl.Cl
InChIInChI=1S/C6H9N3.2ClH/c1-5(7)6-4-8-2-3-9-6;;/h2-5H,7H2,1H3;2*1H/t5-;;/m0../s1
InChIKeyDXTZMYLBMRESFK-XRIGFGBMSA-N
XLogP1.34
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyrazin-2-ylethanamine;dihydrochloride?
The IUPAC name of (1S)-1-pyrazin-2-ylethanamine;dihydrochloride (CID 122163883) is (1S)-1-pyrazin-2-ylethanamine;dihydrochloride.
What is the SMILES notation for (1S)-1-pyrazin-2-ylethanamine;dihydrochloride?
The canonical SMILES for (1S)-1-pyrazin-2-ylethanamine;dihydrochloride is C[C@H](N)c1cnccn1.Cl.Cl.
What is the InChIKey of (1S)-1-pyrazin-2-ylethanamine;dihydrochloride?
The InChIKey is DXTZMYLBMRESFK-XRIGFGBMSA-N. The full InChI is InChI=1S/C6H9N3.2ClH/c1-5(7)6-4-8-2-3-9-6;;/h2-5H,7H2,1H3;2*1H/t5-;;/m0../s1.
What are the key properties of (1S)-1-pyrazin-2-ylethanamine;dihydrochloride?
(1S)-1-pyrazin-2-ylethanamine;dihydrochloride has a molecular weight of 196.08 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyrazin-2-ylethanamine;dihydrochloride is sourced from PubChem (CID 122163883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).