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

C13H19N3O3 — CID 55132729

IUPAC4-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(Nc2nccn(C)c2=O)(C(=O)O)CC1
InChIInChI=1S/C13H19N3O3/c1-9-3-5-13(6-4-9,12(18)19)15-10-11(17)16(2)8-7-14-10/h7-9H,3-6H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyCEBDWRUNWOIJMQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.23
Rot. Bonds3

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

4-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 55132729) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID55132729
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(Nc2nccn(C)c2=O)(C(=O)O)CC1
InChIInChI=1S/C13H19N3O3/c1-9-3-5-13(6-4-9,12(18)19)15-10-11(17)16(2)8-7-14-10/h7-9H,3-6H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyCEBDWRUNWOIJMQ-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 4-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid (CID 55132729) is 4-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid is CC1CCC(Nc2nccn(C)c2=O)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is CEBDWRUNWOIJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-3-5-13(6-4-9,12(18)19)15-10-11(17)16(2)8-7-14-10/h7-9H,3-6H2,1-2H3,(H,14,15)(H,18,19).
What are the key properties of 4-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
4-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 4-methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55132729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).