(3,5,6-trimethylpyrazin-2-yl)methyl propanoate;hydrochloride

C11H17ClN2O2 — CID 174591443

IUPAC(3,5,6-trimethylpyrazin-2-yl)methyl propanoate;hydrochloride
SMILESCCC(=O)OCc1nc(C)c(C)nc1C.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-5-11(14)15-6-10-9(4)12-7(2)8(3)13-10;/h5-6H2,1-4H3;1H
InChIKeyAMAXLNUPYMEQJN-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.28
Rot. Bonds3

About (3,5,6-trimethylpyrazin-2-yl)methyl propanoate;hydrochloride

(3,5,6-trimethylpyrazin-2-yl)methyl propanoate;hydrochloride (PubChem CID 174591443) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is (3,5,6-trimethylpyrazin-2-yl)methyl propanoate;hydrochloride.

Molecular Properties

Compound Name(3,5,6-trimethylpyrazin-2-yl)methyl propanoate;hydrochloride
PubChem CID174591443
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name(3,5,6-trimethylpyrazin-2-yl)methyl propanoate;hydrochloride
SMILESCCC(=O)OCc1nc(C)c(C)nc1C.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-5-11(14)15-6-10-9(4)12-7(2)8(3)13-10;/h5-6H2,1-4H3;1H
InChIKeyAMAXLNUPYMEQJN-UHFFFAOYSA-N
XLogP2.28
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5,6-trimethylpyrazin-2-yl)methyl propanoate;hydrochloride?
The IUPAC name of (3,5,6-trimethylpyrazin-2-yl)methyl propanoate;hydrochloride (CID 174591443) is (3,5,6-trimethylpyrazin-2-yl)methyl propanoate;hydrochloride.
What is the SMILES notation for (3,5,6-trimethylpyrazin-2-yl)methyl propanoate;hydrochloride?
The canonical SMILES for (3,5,6-trimethylpyrazin-2-yl)methyl propanoate;hydrochloride is CCC(=O)OCc1nc(C)c(C)nc1C.Cl.
What is the InChIKey of (3,5,6-trimethylpyrazin-2-yl)methyl propanoate;hydrochloride?
The InChIKey is AMAXLNUPYMEQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.ClH/c1-5-11(14)15-6-10-9(4)12-7(2)8(3)13-10;/h5-6H2,1-4H3;1H.
What are the key properties of (3,5,6-trimethylpyrazin-2-yl)methyl propanoate;hydrochloride?
(3,5,6-trimethylpyrazin-2-yl)methyl propanoate;hydrochloride has a molecular weight of 244.72 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5,6-trimethylpyrazin-2-yl)methyl propanoate;hydrochloride is sourced from PubChem (CID 174591443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).