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

C13H19N3O3 — CID 55146915

IUPAC3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCCn1ccnc(NC2CCCC(C(=O)O)C2)c1=O
InChIInChI=1S/C13H19N3O3/c1-2-16-7-6-14-11(12(16)17)15-10-5-3-4-9(8-10)13(18)19/h6-7,9-10H,2-5,8H2,1H3,(H,14,15)(H,18,19)
InChIKeyIYRDRZFHBZXWCT-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.32
Rot. Bonds4

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

3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 55146915) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID55146915
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCCn1ccnc(NC2CCCC(C(=O)O)C2)c1=O
InChIInChI=1S/C13H19N3O3/c1-2-16-7-6-14-11(12(16)17)15-10-5-3-4-9(8-10)13(18)19/h6-7,9-10H,2-5,8H2,1H3,(H,14,15)(H,18,19)
InChIKeyIYRDRZFHBZXWCT-UHFFFAOYSA-N
XLogP1.32
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-Methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 55132729
6-[(3-Oxo-4-propan-2-ylpyrazin-2-yl)amino]hexanoic acid
CID 55156016
2-Cyclohexyl-2-[(4-methyl-3-oxopyrazin-2-yl)amino]acetic acid
CID 62938320
4-[(4-Tert-butyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 62938376
1-[(4-Methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 62938500
3-Methyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 62938676
6-[[4-(2-Methylpropyl)-3-oxopyrazin-2-yl]amino]hexanoic acid
CID 62938720
1-[[4-(2-Methylpropyl)-3-oxopyrazin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 62938733
1-[(3-Oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 62938734
1-[(4-Cyclopropyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 62938735
4-Ethyl-1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 62938849
1-[(4-Ethyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 62938913

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid (CID 55146915) is 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid is CCn1ccnc(NC2CCCC(C(=O)O)C2)c1=O.
What is the InChIKey of 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is IYRDRZFHBZXWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-16-7-6-14-11(12(16)17)15-10-5-3-4-9(8-10)13(18)19/h6-7,9-10H,2-5,8H2,1H3,(H,14,15)(H,18,19).
What are the key properties of 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55146915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).