(3-methylpyrazin-2-yl)methyl acetate

C8H10N2O2 — CID 12827808

IUPAC(3-methylpyrazin-2-yl)methyl acetate
SMILESCC(=O)OCc1nccnc1C
InChIInChI=1S/C8H10N2O2/c1-6-8(5-12-7(2)11)10-4-3-9-6/h3-4H,5H2,1-2H3
InChIKeyZXEVBPIGIZHUET-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.85
Rot. Bonds2

About (3-methylpyrazin-2-yl)methyl acetate

(3-methylpyrazin-2-yl)methyl acetate (PubChem CID 12827808) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (3-methylpyrazin-2-yl)methyl acetate.

Molecular Properties

Compound Name(3-methylpyrazin-2-yl)methyl acetate
PubChem CID12827808
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(3-methylpyrazin-2-yl)methyl acetate
SMILESCC(=O)OCc1nccnc1C
InChIInChI=1S/C8H10N2O2/c1-6-8(5-12-7(2)11)10-4-3-9-6/h3-4H,5H2,1-2H3
InChIKeyZXEVBPIGIZHUET-UHFFFAOYSA-N
XLogP0.85
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-(3,5 or 6)-methylpyrazine
CID 113204
Propyl pyrazinoate
CID 72507
Pyrazinecarboxylic acid, 2-(dimethylamino)ethyl ester
CID 122708
Ethyl pyrazinecarboxylate
CID 81341
2-Methylpropyl pyrazine-2-carboxylate
CID 465056
Propyl 5-methylpyrazine-2-carboxylate
CID 465066
Pyrazine, 2-ethoxymethyl-
CID 103404
Sec-butyl pyrazine-2-carboxylate
CID 465057
Methyl 3-methylpyrazine-2-carboxylate
CID 13153469
2,3-Pyrazinedicarboxylic acid, diethyl ester
CID 640183
(3,6-Dimethylpyrazin-2-yl)methyl 3-methylbutanoate
CID 71467154
Pyrazin-2-ylmethyl acetate
CID 12933345

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrazin-2-yl)methyl acetate?
The IUPAC name of (3-methylpyrazin-2-yl)methyl acetate (CID 12827808) is (3-methylpyrazin-2-yl)methyl acetate.
What is the SMILES notation for (3-methylpyrazin-2-yl)methyl acetate?
The canonical SMILES for (3-methylpyrazin-2-yl)methyl acetate is CC(=O)OCc1nccnc1C.
What is the InChIKey of (3-methylpyrazin-2-yl)methyl acetate?
The InChIKey is ZXEVBPIGIZHUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-8(5-12-7(2)11)10-4-3-9-6/h3-4H,5H2,1-2H3.
What are the key properties of (3-methylpyrazin-2-yl)methyl acetate?
(3-methylpyrazin-2-yl)methyl acetate has a molecular weight of 166.18 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrazin-2-yl)methyl acetate is sourced from PubChem (CID 12827808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).