(3,5,6-trimethylpyrazin-2-yl)methyl hydrogen carbonate

C9H12N2O3 — CID 175359786

IUPAC(3,5,6-trimethylpyrazin-2-yl)methyl hydrogen carbonate
SMILESCc1nc(C)c(COC(=O)O)nc1C
InChIInChI=1S/C9H12N2O3/c1-5-6(2)11-8(7(3)10-5)4-14-9(12)13/h4H2,1-3H3,(H,12,13)
InChIKeyHHOBZNOFPAAOFJ-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.60
Rot. Bonds2

About (3,5,6-trimethylpyrazin-2-yl)methyl hydrogen carbonate

(3,5,6-trimethylpyrazin-2-yl)methyl hydrogen carbonate (PubChem CID 175359786) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (3,5,6-trimethylpyrazin-2-yl)methyl hydrogen carbonate.

Molecular Properties

Compound Name(3,5,6-trimethylpyrazin-2-yl)methyl hydrogen carbonate
PubChem CID175359786
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(3,5,6-trimethylpyrazin-2-yl)methyl hydrogen carbonate
SMILESCc1nc(C)c(COC(=O)O)nc1C
InChIInChI=1S/C9H12N2O3/c1-5-6(2)11-8(7(3)10-5)4-14-9(12)13/h4H2,1-3H3,(H,12,13)
InChIKeyHHOBZNOFPAAOFJ-UHFFFAOYSA-N
XLogP1.60
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methylacetate-3,5,6-trimethylpyrazine
CID 85138582
(3,5,6-Trimethylpyrazin-2-yl)methyl 3-methylbutanoate
CID 71467094
(3,5,6-trimethylpyrazin-2-yl)methyl (2S)-2-methylbutanoate
CID 71467095
[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-Chloro-2-methylpropyl) (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 122550012
1-Chloroethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 122550013
(1-Chloro-2,2-dimethylpropyl) (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 122550015
Chloromethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 122550017
2-(1,3-Dioxolan-2-yl)-3,5,6-trimethylpyrazine
CID 122684100
(3,5,6-Trimethylpyrazin-2-yl)methyl 2-methylpropanoate
CID 141222358
(3,5,6-Trimethylpyrazin-2-yl)methyl propanoate
CID 141222359

Frequently Asked Questions

What is the IUPAC name of (3,5,6-trimethylpyrazin-2-yl)methyl hydrogen carbonate?
The IUPAC name of (3,5,6-trimethylpyrazin-2-yl)methyl hydrogen carbonate (CID 175359786) is (3,5,6-trimethylpyrazin-2-yl)methyl hydrogen carbonate.
What is the SMILES notation for (3,5,6-trimethylpyrazin-2-yl)methyl hydrogen carbonate?
The canonical SMILES for (3,5,6-trimethylpyrazin-2-yl)methyl hydrogen carbonate is Cc1nc(C)c(COC(=O)O)nc1C.
What is the InChIKey of (3,5,6-trimethylpyrazin-2-yl)methyl hydrogen carbonate?
The InChIKey is HHOBZNOFPAAOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-6(2)11-8(7(3)10-5)4-14-9(12)13/h4H2,1-3H3,(H,12,13).
What are the key properties of (3,5,6-trimethylpyrazin-2-yl)methyl hydrogen carbonate?
(3,5,6-trimethylpyrazin-2-yl)methyl hydrogen carbonate has a molecular weight of 196.21 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5,6-trimethylpyrazin-2-yl)methyl hydrogen carbonate is sourced from PubChem (CID 175359786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).