(3,5-dimethylphenyl)methyl pyrazine-2-carboxylate

C14H14N2O2 — CID 17428240

IUPAC(3,5-dimethylphenyl)methyl pyrazine-2-carboxylate
SMILESCc1cc(C)cc(COC(=O)c2cnccn2)c1
InChIInChI=1S/C14H14N2O2/c1-10-5-11(2)7-12(6-10)9-18-14(17)13-8-15-3-4-16-13/h3-8H,9H2,1-2H3
InChIKeyDIMBWWZPUFZIFM-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.45
Rot. Bonds3

About (3,5-dimethylphenyl)methyl pyrazine-2-carboxylate

(3,5-dimethylphenyl)methyl pyrazine-2-carboxylate (PubChem CID 17428240) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (3,5-dimethylphenyl)methyl pyrazine-2-carboxylate.

Molecular Properties

Compound Name(3,5-dimethylphenyl)methyl pyrazine-2-carboxylate
PubChem CID17428240
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(3,5-dimethylphenyl)methyl pyrazine-2-carboxylate
SMILESCc1cc(C)cc(COC(=O)c2cnccn2)c1
InChIInChI=1S/C14H14N2O2/c1-10-5-11(2)7-12(6-10)9-18-14(17)13-8-15-3-4-16-13/h3-8H,9H2,1-2H3
InChIKeyDIMBWWZPUFZIFM-UHFFFAOYSA-N
XLogP2.45
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
(3-methoxy-4-methylphenyl)methyl pyrazine-2-carboxylate
CID 71874306
amino pyrazine-2-carboxylate
CID 67878279
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyrazine-2-carboxylate
CID 7679149
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl pyrazine-2-carboxylate
CID 7702436
(5-chlorothiadiazol-4-yl)methyl pyrazine-2-carboxylate
CID 37291780
(3,5-dimethylphenyl)methyl carbonochloridate
CID 13305535
silyl pyrazine-2-carboxylate
CID 137330489
[2-(4-bromo-3-methylanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2433474
propan-2-yl pyrazine-2-carboxylate
CID 3022328
[4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 2458017
(2-chloroquinolin-3-yl)methyl pyrazine-2-carboxylate
CID 7594601

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)methyl pyrazine-2-carboxylate?
The IUPAC name of (3,5-dimethylphenyl)methyl pyrazine-2-carboxylate (CID 17428240) is (3,5-dimethylphenyl)methyl pyrazine-2-carboxylate.
What is the SMILES notation for (3,5-dimethylphenyl)methyl pyrazine-2-carboxylate?
The canonical SMILES for (3,5-dimethylphenyl)methyl pyrazine-2-carboxylate is Cc1cc(C)cc(COC(=O)c2cnccn2)c1.
What is the InChIKey of (3,5-dimethylphenyl)methyl pyrazine-2-carboxylate?
The InChIKey is DIMBWWZPUFZIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-5-11(2)7-12(6-10)9-18-14(17)13-8-15-3-4-16-13/h3-8H,9H2,1-2H3.
What are the key properties of (3,5-dimethylphenyl)methyl pyrazine-2-carboxylate?
(3,5-dimethylphenyl)methyl pyrazine-2-carboxylate has a molecular weight of 242.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)methyl pyrazine-2-carboxylate is sourced from PubChem (CID 17428240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).