5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid

C10H11N5O3 — CID 114186390

IUPAC5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid
SMILESCc1noc(CCNc2cnc(C(=O)O)cn2)n1
InChIInChI=1S/C10H11N5O3/c1-6-14-9(18-15-6)2-3-11-8-5-12-7(4-13-8)10(16)17/h4-5H,2-3H2,1H3,(H,11,13)(H,16,17)
InChIKeyJXYQLNFVRJIXEP-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.52
Rot. Bonds5

About 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid

5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid (PubChem CID 114186390) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid
PubChem CID114186390
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid
SMILESCc1noc(CCNc2cnc(C(=O)O)cn2)n1
InChIInChI=1S/C10H11N5O3/c1-6-14-9(18-15-6)2-3-11-8-5-12-7(4-13-8)10(16)17/h4-5H,2-3H2,1H3,(H,11,13)(H,16,17)
InChIKeyJXYQLNFVRJIXEP-UHFFFAOYSA-N
XLogP0.52
TPSA114.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate
CID 114186375
5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685485
5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid
CID 167927177
5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid
CID 122053496
5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 114186890
5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 114186501
5-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 114185667
N,N-dimethyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide
CID 106418721
5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid
CID 107372326
4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 103761486
2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 106424446
5-(7-methyloctylamino)pyrazine-2-carboxylic acid
CID 107815534

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid (CID 114186390) is 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid is Cc1noc(CCNc2cnc(C(=O)O)cn2)n1.
What is the InChIKey of 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is JXYQLNFVRJIXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-6-14-9(18-15-6)2-3-11-8-5-12-7(4-13-8)10(16)17/h4-5H,2-3H2,1H3,(H,11,13)(H,16,17).
What are the key properties of 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid?
5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid has a molecular weight of 249.23 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 114186390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).