6-[methyl(thiophen-3-ylmethyl)amino]pyrazine-2-carboxylic acid

C11H11N3O2S — CID 66457207

IUPAC6-[methyl(thiophen-3-ylmethyl)amino]pyrazine-2-carboxylic acid
SMILESCN(Cc1ccsc1)c1cncc(C(=O)O)n1
InChIInChI=1S/C11H11N3O2S/c1-14(6-8-2-3-17-7-8)10-5-12-4-9(13-10)11(15)16/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyGUANXTDROCOGHT-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.87
Rot. Bonds4

About 6-[methyl(thiophen-3-ylmethyl)amino]pyrazine-2-carboxylic acid

6-[methyl(thiophen-3-ylmethyl)amino]pyrazine-2-carboxylic acid (PubChem CID 66457207) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 6-[methyl(thiophen-3-ylmethyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[methyl(thiophen-3-ylmethyl)amino]pyrazine-2-carboxylic acid
PubChem CID66457207
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name6-[methyl(thiophen-3-ylmethyl)amino]pyrazine-2-carboxylic acid
SMILESCN(Cc1ccsc1)c1cncc(C(=O)O)n1
InChIInChI=1S/C11H11N3O2S/c1-14(6-8-2-3-17-7-8)10-5-12-4-9(13-10)11(15)16/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyGUANXTDROCOGHT-UHFFFAOYSA-N
XLogP1.87
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[methyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 66456809
5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid
CID 115490786
6-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxylic acid
CID 66456627
2-ethyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboxylic acid
CID 113380132
6-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazine-2-carboxylic acid
CID 66457051
2-[[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381125
6-[methyl(thiophen-3-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43528349
6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazine-2-carboxamide
CID 133431049
6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid
CID 134703059
methyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate
CID 66458224
methyl 6-[(5-bromothiophen-3-yl)methyl-methylamino]pyrazine-2-carboxylate
CID 66452032
methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate
CID 66455869

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(thiophen-3-ylmethyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[methyl(thiophen-3-ylmethyl)amino]pyrazine-2-carboxylic acid (CID 66457207) is 6-[methyl(thiophen-3-ylmethyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[methyl(thiophen-3-ylmethyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[methyl(thiophen-3-ylmethyl)amino]pyrazine-2-carboxylic acid is CN(Cc1ccsc1)c1cncc(C(=O)O)n1.
What is the InChIKey of 6-[methyl(thiophen-3-ylmethyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is GUANXTDROCOGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-14(6-8-2-3-17-7-8)10-5-12-4-9(13-10)11(15)16/h2-5,7H,6H2,1H3,(H,15,16).
What are the key properties of 6-[methyl(thiophen-3-ylmethyl)amino]pyrazine-2-carboxylic acid?
6-[methyl(thiophen-3-ylmethyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 249.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(thiophen-3-ylmethyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 66457207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).