(3,5,6-trimethyl(115N)pyrazin-2-yl)methyl acetate

C10H14N2O2 — CID 10420180

IUPAC(3,5,6-trimethyl(115N)pyrazin-2-yl)methyl acetate
SMILESCC(=O)OCc1[15n]c(C)c(C)nc1C
InChIInChI=1S/C10H14N2O2/c1-6-7(2)12-10(8(3)11-6)5-14-9(4)13/h5H2,1-4H3/i12+1
InChIKeyANFZDGQJMXVAEI-HNHCFKFXSA-N
MW195.23 g/mol
LogP1.46
Rot. Bonds2

About (3,5,6-trimethyl(115N)pyrazin-2-yl)methyl acetate

(3,5,6-trimethyl(115N)pyrazin-2-yl)methyl acetate (PubChem CID 10420180) has the molecular formula C10H14N2O2 and a molecular weight of 195.23 g/mol. Its IUPAC name is (3,5,6-trimethyl(115N)pyrazin-2-yl)methyl acetate.

Molecular Properties

Compound Name(3,5,6-trimethyl(115N)pyrazin-2-yl)methyl acetate
PubChem CID10420180
Molecular FormulaC10H14N2O2
Molecular Weight195.23 g/mol
Exact Mass195.10
IUPAC Name(3,5,6-trimethyl(115N)pyrazin-2-yl)methyl acetate
SMILESCC(=O)OCc1[15n]c(C)c(C)nc1C
InChIInChI=1S/C10H14N2O2/c1-6-7(2)12-10(8(3)11-6)5-14-9(4)13/h5H2,1-4H3/i12+1
InChIKeyANFZDGQJMXVAEI-HNHCFKFXSA-N
XLogP1.46
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
(3,5,6-trimethylpyrazin-2-yl)methyl N-ethyl-N-methylcarbamate
CID 118266794
1-Chloroethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 122550013
Chloromethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 122550017

Frequently Asked Questions

What is the IUPAC name of (3,5,6-trimethyl(115N)pyrazin-2-yl)methyl acetate?
The IUPAC name of (3,5,6-trimethyl(115N)pyrazin-2-yl)methyl acetate (CID 10420180) is (3,5,6-trimethyl(115N)pyrazin-2-yl)methyl acetate.
What is the SMILES notation for (3,5,6-trimethyl(115N)pyrazin-2-yl)methyl acetate?
The canonical SMILES for (3,5,6-trimethyl(115N)pyrazin-2-yl)methyl acetate is CC(=O)OCc1[15n]c(C)c(C)nc1C.
What is the InChIKey of (3,5,6-trimethyl(115N)pyrazin-2-yl)methyl acetate?
The InChIKey is ANFZDGQJMXVAEI-HNHCFKFXSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-7(2)12-10(8(3)11-6)5-14-9(4)13/h5H2,1-4H3/i12+1.
What are the key properties of (3,5,6-trimethyl(115N)pyrazin-2-yl)methyl acetate?
(3,5,6-trimethyl(115N)pyrazin-2-yl)methyl acetate has a molecular weight of 195.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5,6-trimethyl(115N)pyrazin-2-yl)methyl acetate is sourced from PubChem (CID 10420180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).