(5-methylpyrazin-2-yl)methanamine;dihydrochloride

C6H11Cl2N3 — CID 121397354

IUPAC(5-methylpyrazin-2-yl)methanamine;dihydrochloride
SMILESCc1cnc(CN)cn1.Cl.Cl
InChIInChI=1S/C6H9N3.2ClH/c1-5-3-9-6(2-7)4-8-5;;/h3-4H,2,7H2,1H3;2*1H
InChIKeyRMSQRJPODOXGGP-UHFFFAOYSA-N
MW196.08 g/mol
LogP1.09
Rot. Bonds1

About (5-methylpyrazin-2-yl)methanamine;dihydrochloride

(5-methylpyrazin-2-yl)methanamine;dihydrochloride (PubChem CID 121397354) has the molecular formula C6H11Cl2N3 and a molecular weight of 196.08 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)methanamine;dihydrochloride
PubChem CID121397354
Molecular FormulaC6H11Cl2N3
Molecular Weight196.08 g/mol
Exact Mass195.03
IUPAC Name(5-methylpyrazin-2-yl)methanamine;dihydrochloride
SMILESCc1cnc(CN)cn1.Cl.Cl
InChIInChI=1S/C6H9N3.2ClH/c1-5-3-9-6(2-7)4-8-5;;/h3-4H,2,7H2,1H3;2*1H
InChIKeyRMSQRJPODOXGGP-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)methanamine;dihydrochloride?
The IUPAC name of (5-methylpyrazin-2-yl)methanamine;dihydrochloride (CID 121397354) is (5-methylpyrazin-2-yl)methanamine;dihydrochloride.
What is the SMILES notation for (5-methylpyrazin-2-yl)methanamine;dihydrochloride?
The canonical SMILES for (5-methylpyrazin-2-yl)methanamine;dihydrochloride is Cc1cnc(CN)cn1.Cl.Cl.
What is the InChIKey of (5-methylpyrazin-2-yl)methanamine;dihydrochloride?
The InChIKey is RMSQRJPODOXGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.2ClH/c1-5-3-9-6(2-7)4-8-5;;/h3-4H,2,7H2,1H3;2*1H.
What are the key properties of (5-methylpyrazin-2-yl)methanamine;dihydrochloride?
(5-methylpyrazin-2-yl)methanamine;dihydrochloride has a molecular weight of 196.08 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)methanamine;dihydrochloride is sourced from PubChem (CID 121397354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).