ethane;(3,5,6-trimethylpyrazin-2-yl)methyl acetate

C12H20N2O2 — CID 145330912

IUPACethane;(3,5,6-trimethylpyrazin-2-yl)methyl acetate
SMILESCC.CC(=O)OCc1nc(C)c(C)nc1C
InChIInChI=1S/C10H14N2O2.C2H6/c1-6-7(2)12-10(8(3)11-6)5-14-9(4)13;1-2/h5H2,1-4H3;1-2H3
InChIKeyWHOBWLAJJQYYFI-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.49
Rot. Bonds2

About ethane;(3,5,6-trimethylpyrazin-2-yl)methyl acetate

ethane;(3,5,6-trimethylpyrazin-2-yl)methyl acetate (PubChem CID 145330912) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethane;(3,5,6-trimethylpyrazin-2-yl)methyl acetate.

Molecular Properties

Compound Nameethane;(3,5,6-trimethylpyrazin-2-yl)methyl acetate
PubChem CID145330912
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Nameethane;(3,5,6-trimethylpyrazin-2-yl)methyl acetate
SMILESCC.CC(=O)OCc1nc(C)c(C)nc1C
InChIInChI=1S/C10H14N2O2.C2H6/c1-6-7(2)12-10(8(3)11-6)5-14-9(4)13;1-2/h5H2,1-4H3;1-2H3
InChIKeyWHOBWLAJJQYYFI-UHFFFAOYSA-N
XLogP2.49
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;(3,5,6-trimethylpyrazin-2-yl)methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methylacetate-3,5,6-trimethylpyrazine
CID 85138582
Diethyl 3,6-dimethylpyrazine-2,5-dicarboxylate
CID 236705
(3,5,6-Trimethylpyrazin-2-yl)methyl 3-methylbutanoate
CID 71467094
Ethyl 3,5,6-trimethylpyrazine-2-carboxylate
CID 53428719
(3,5,6-Trimethylpyrazin-2-yl)methyl 4-nitrooxybutanoate
CID 46896575
(3,5,6-Trimethylpyrazin-2-yl)methyl 3-nitrooxypropanoate
CID 46896576
(3,5,6-Trimethylpyrazin-2-yl)methyl 2-nitrooxyacetate
CID 46896577
Bis[(3,5,6-trimethylpyrazin-2-yl)methyl] butanedioate
CID 46896580
[5-(Acetyloxymethyl)-3,6-dimethylpyrazin-2-yl]methyl acetate
CID 53346217
2,3,5-Trimethyl-6-[(3,5,6-trimethylpyrazin-2-yl)methoxymethyl]pyrazine
CID 56599739
(3,5,6-Trimethylpyrazin-2-yl)methyl hexadecanoate
CID 71725119
(3,5,6-trimethylpyrazin-2-yl)methyl N-ethyl-N-methylcarbamate
CID 118266794

Frequently Asked Questions

What is the IUPAC name of ethane;(3,5,6-trimethylpyrazin-2-yl)methyl acetate?
The IUPAC name of ethane;(3,5,6-trimethylpyrazin-2-yl)methyl acetate (CID 145330912) is ethane;(3,5,6-trimethylpyrazin-2-yl)methyl acetate.
What is the SMILES notation for ethane;(3,5,6-trimethylpyrazin-2-yl)methyl acetate?
The canonical SMILES for ethane;(3,5,6-trimethylpyrazin-2-yl)methyl acetate is CC.CC(=O)OCc1nc(C)c(C)nc1C.
What is the InChIKey of ethane;(3,5,6-trimethylpyrazin-2-yl)methyl acetate?
The InChIKey is WHOBWLAJJQYYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.C2H6/c1-6-7(2)12-10(8(3)11-6)5-14-9(4)13;1-2/h5H2,1-4H3;1-2H3.
What are the key properties of ethane;(3,5,6-trimethylpyrazin-2-yl)methyl acetate?
ethane;(3,5,6-trimethylpyrazin-2-yl)methyl acetate has a molecular weight of 224.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3,5,6-trimethylpyrazin-2-yl)methyl acetate is sourced from PubChem (CID 145330912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).