3-(aminomethyl)-1-methylpyrazin-2-one;dihydrochloride

C6H11Cl2N3O — CID 134691147

IUPAC3-(aminomethyl)-1-methylpyrazin-2-one;dihydrochloride
SMILESCl.Cl.Cn1ccnc(CN)c1=O
InChIInChI=1S/C6H9N3O.2ClH/c1-9-3-2-8-5(4-7)6(9)10;;/h2-3H,4,7H2,1H3;2*1H
InChIKeyYXIHTKYEJWFLAU-UHFFFAOYSA-N
MW212.08 g/mol
LogP0.08
Rot. Bonds1

About 3-(aminomethyl)-1-methylpyrazin-2-one;dihydrochloride

3-(aminomethyl)-1-methylpyrazin-2-one;dihydrochloride (PubChem CID 134691147) has the molecular formula C6H11Cl2N3O and a molecular weight of 212.08 g/mol. Its IUPAC name is 3-(aminomethyl)-1-methylpyrazin-2-one;dihydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-1-methylpyrazin-2-one;dihydrochloride
PubChem CID134691147
Molecular FormulaC6H11Cl2N3O
Molecular Weight212.08 g/mol
Exact Mass211.03
IUPAC Name3-(aminomethyl)-1-methylpyrazin-2-one;dihydrochloride
SMILESCl.Cl.Cn1ccnc(CN)c1=O
InChIInChI=1S/C6H9N3O.2ClH/c1-9-3-2-8-5(4-7)6(9)10;;/h2-3H,4,7H2,1H3;2*1H
InChIKeyYXIHTKYEJWFLAU-UHFFFAOYSA-N
XLogP0.08
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.08
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-methylpyrazin-2-one;dihydrochloride?
The IUPAC name of 3-(aminomethyl)-1-methylpyrazin-2-one;dihydrochloride (CID 134691147) is 3-(aminomethyl)-1-methylpyrazin-2-one;dihydrochloride.
What is the SMILES notation for 3-(aminomethyl)-1-methylpyrazin-2-one;dihydrochloride?
The canonical SMILES for 3-(aminomethyl)-1-methylpyrazin-2-one;dihydrochloride is Cl.Cl.Cn1ccnc(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-methylpyrazin-2-one;dihydrochloride?
The InChIKey is YXIHTKYEJWFLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.2ClH/c1-9-3-2-8-5(4-7)6(9)10;;/h2-3H,4,7H2,1H3;2*1H.
What are the key properties of 3-(aminomethyl)-1-methylpyrazin-2-one;dihydrochloride?
3-(aminomethyl)-1-methylpyrazin-2-one;dihydrochloride has a molecular weight of 212.08 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-methylpyrazin-2-one;dihydrochloride is sourced from PubChem (CID 134691147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).