3-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid

C13H19N3O3 — CID 62938676

IUPAC3-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCCC(Nc2nccn(C)c2=O)(C(=O)O)C1
InChIInChI=1S/C13H19N3O3/c1-9-4-3-5-13(8-9,12(18)19)15-10-11(17)16(2)7-6-14-10/h6-7,9H,3-5,8H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyWKPXOMFOHISGPI-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.23
Rot. Bonds3

About 3-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid

3-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 62938676) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID62938676
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCCC(Nc2nccn(C)c2=O)(C(=O)O)C1
InChIInChI=1S/C13H19N3O3/c1-9-4-3-5-13(8-9,12(18)19)15-10-11(17)16(2)7-6-14-10/h6-7,9H,3-5,8H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyWKPXOMFOHISGPI-UHFFFAOYSA-N
XLogP1.23
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid (CID 62938676) is 3-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid is CC1CCCC(Nc2nccn(C)c2=O)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is WKPXOMFOHISGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-4-3-5-13(8-9,12(18)19)15-10-11(17)16(2)7-6-14-10/h6-7,9H,3-5,8H2,1-2H3,(H,14,15)(H,18,19).
What are the key properties of 3-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
3-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62938676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).