5-(2-methylpentan-2-ylamino)pyrazine-2-carboxylic acid

C11H17N3O2 — CID 107372559

IUPAC5-(2-methylpentan-2-ylamino)pyrazine-2-carboxylic acid
SMILESCCCC(C)(C)Nc1cnc(C(=O)O)cn1
InChIInChI=1S/C11H17N3O2/c1-4-5-11(2,3)14-9-7-12-8(6-13-9)10(15)16/h6-7H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyOVIUSYGRCKYSHM-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.17
Rot. Bonds5

About 5-(2-methylpentan-2-ylamino)pyrazine-2-carboxylic acid

5-(2-methylpentan-2-ylamino)pyrazine-2-carboxylic acid (PubChem CID 107372559) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(2-methylpentan-2-ylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpentan-2-ylamino)pyrazine-2-carboxylic acid
PubChem CID107372559
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-(2-methylpentan-2-ylamino)pyrazine-2-carboxylic acid
SMILESCCCC(C)(C)Nc1cnc(C(=O)O)cn1
InChIInChI=1S/C11H17N3O2/c1-4-5-11(2,3)14-9-7-12-8(6-13-9)10(15)16/h6-7H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyOVIUSYGRCKYSHM-UHFFFAOYSA-N
XLogP2.17
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-methylpentan-2-yl)pyrazin-2-amine
CID 130540501
5-[(2,2-diethyl-4-hydroxybutyl)amino]pyrazine-2-carboxylic acid
CID 122054100
5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
CID 104765944
5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113231389
5-(2-ethylhexylamino)pyrazine-2-carboxylic acid
CID 107815568
5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid
CID 107372326
5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689751
5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid
CID 122053496
5-[(5-methoxy-4,4-dimethylpentyl)amino]pyrazine-2-carboxylic acid
CID 122057461
N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide
CID 109272412
5-(4-propylanilino)pyrazine-2-carboxylic acid
CID 107372323
5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 122054324

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpentan-2-ylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(2-methylpentan-2-ylamino)pyrazine-2-carboxylic acid (CID 107372559) is 5-(2-methylpentan-2-ylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylpentan-2-ylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(2-methylpentan-2-ylamino)pyrazine-2-carboxylic acid is CCCC(C)(C)Nc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-(2-methylpentan-2-ylamino)pyrazine-2-carboxylic acid?
The InChIKey is OVIUSYGRCKYSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-5-11(2,3)14-9-7-12-8(6-13-9)10(15)16/h6-7H,4-5H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 5-(2-methylpentan-2-ylamino)pyrazine-2-carboxylic acid?
5-(2-methylpentan-2-ylamino)pyrazine-2-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpentan-2-ylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 107372559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).