Benzyl 3-amino-6-methylpyrazine-2-carboxylate

C13H13N3O2 — CID 317740

IUPACbenzyl 3-amino-6-methylpyrazine-2-carboxylate
SMILESCC1=CN=C(C(=N1)C(=O)OCC2=CC=CC=C2)N
InChIInChI=1S/C13H13N3O2/c1-9-7-15-12(14)11(16-9)13(17)18-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,14,15)
InChIKeyJZXGSHVKASXPHS-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.10
Rot. Bonds4

About Benzyl 3-amino-6-methylpyrazine-2-carboxylate

Benzyl 3-amino-6-methylpyrazine-2-carboxylate (PubChem CID 317740) has the molecular formula C13H13N3O2 and a molecular weight of 243.26 g/mol. Its IUPAC name is benzyl 3-amino-6-methylpyrazine-2-carboxylate.

Molecular Properties

Compound NameBenzyl 3-amino-6-methylpyrazine-2-carboxylate
PubChem CID317740
Molecular FormulaC13H13N3O2
Molecular Weight243.26 g/mol
Exact Mass243.10
IUPAC Namebenzyl 3-amino-6-methylpyrazine-2-carboxylate
SMILESCC1=CN=C(C(=N1)C(=O)OCC2=CC=CC=C2)N
InChIInChI=1S/C13H13N3O2/c1-9-7-15-12(14)11(16-9)13(17)18-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,14,15)
InChIKeyJZXGSHVKASXPHS-UHFFFAOYSA-N
XLogP2.10
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity279

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Bromophenyl)methyl 5-methylpyrazine-2-carboxylate
CID 4804238
4-Chlorobenzyl pyrazine-2-carboxylate
CID 755832
4-(Methoxycarbonyl)benzyl 2-pyrazinecarboxylate
CID 895194
[4-[(5-Methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 2458017
Benzyl 2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylate
CID 118706497
Benzyl 5-chloropyrazine-2-carboxylate
CID 465035
Benzyl pyrazine-2-carboxylate
CID 465059
[4-(Trifluoromethyl)phenyl]methyl pyrazine-2-carboxylate
CID 482666
2-(2-Fluorophenyl)pyrazino[2,3-d][1,3]oxazin-4-one
CID 10198711
Phenethyl 5-chloropyrazine-2-carboxylate
CID 465457
1-Phenylpentyl 5-chloropyrazine-2-carboxylate
CID 465462
(4-Cyanophenyl)methyl 5-methylpyrazine-2-carboxylate
CID 2562877

Frequently Asked Questions

What is the IUPAC name of Benzyl 3-amino-6-methylpyrazine-2-carboxylate?
The IUPAC name of Benzyl 3-amino-6-methylpyrazine-2-carboxylate (CID 317740) is benzyl 3-amino-6-methylpyrazine-2-carboxylate.
What is the SMILES notation for Benzyl 3-amino-6-methylpyrazine-2-carboxylate?
The canonical SMILES for Benzyl 3-amino-6-methylpyrazine-2-carboxylate is CC1=CN=C(C(=N1)C(=O)OCC2=CC=CC=C2)N.
What is the InChIKey of Benzyl 3-amino-6-methylpyrazine-2-carboxylate?
The InChIKey is JZXGSHVKASXPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-7-15-12(14)11(16-9)13(17)18-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,14,15).
What are the key properties of Benzyl 3-amino-6-methylpyrazine-2-carboxylate?
Benzyl 3-amino-6-methylpyrazine-2-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Benzyl 3-amino-6-methylpyrazine-2-carboxylate is sourced from PubChem (CID 317740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).