5-[(3,5-dimethylcyclohexyl)amino]pyrazine-2-carboxylic acid

C13H19N3O2 — CID 64732761

IUPAC5-[(3,5-dimethylcyclohexyl)amino]pyrazine-2-carboxylic acid
SMILESCC1CC(C)CC(Nc2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C13H19N3O2/c1-8-3-9(2)5-10(4-8)16-12-7-14-11(6-15-12)13(17)18/h6-10H,3-5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyADVJTZUFMMPVKD-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.41
Rot. Bonds3

About 5-[(3,5-dimethylcyclohexyl)amino]pyrazine-2-carboxylic acid

5-[(3,5-dimethylcyclohexyl)amino]pyrazine-2-carboxylic acid (PubChem CID 64732761) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[(3,5-dimethylcyclohexyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dimethylcyclohexyl)amino]pyrazine-2-carboxylic acid
PubChem CID64732761
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-[(3,5-dimethylcyclohexyl)amino]pyrazine-2-carboxylic acid
SMILESCC1CC(C)CC(Nc2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C13H19N3O2/c1-8-3-9(2)5-10(4-8)16-12-7-14-11(6-15-12)13(17)18/h6-10H,3-5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyADVJTZUFMMPVKD-UHFFFAOYSA-N
XLogP2.41
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid
CID 122052048
5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689052
5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid
CID 122058090
5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid
CID 122054120
5-(5,8-dioxaspiro[3.5]nonan-2-ylamino)pyrazine-2-carboxylic acid
CID 167981476
5-[(4,4-dimethyloxolan-3-yl)amino]pyrazine-2-carboxylic acid
CID 122058026
5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid
CID 107372454
4-[(3,5-dimethylcyclohexyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 114214465
N-[(3R,5R)-3,5-dimethylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97030726
5-[(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)amino]pyrazine-2-carboxylic acid
CID 166349497
5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid
CID 122053880
5-[(2-thiophen-2-yloxan-4-yl)amino]pyrazine-2-carboxylic acid
CID 122058019

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylcyclohexyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(3,5-dimethylcyclohexyl)amino]pyrazine-2-carboxylic acid (CID 64732761) is 5-[(3,5-dimethylcyclohexyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dimethylcyclohexyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(3,5-dimethylcyclohexyl)amino]pyrazine-2-carboxylic acid is CC1CC(C)CC(Nc2cnc(C(=O)O)cn2)C1.
What is the InChIKey of 5-[(3,5-dimethylcyclohexyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is ADVJTZUFMMPVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-3-9(2)5-10(4-8)16-12-7-14-11(6-15-12)13(17)18/h6-10H,3-5H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(3,5-dimethylcyclohexyl)amino]pyrazine-2-carboxylic acid?
5-[(3,5-dimethylcyclohexyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylcyclohexyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 64732761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).