5-[(2,2-difluorocyclohexyl)methylamino]pyrazine-2-carboxylic acid

C12H15F2N3O2 — CID 122057804

IUPAC5-[(2,2-difluorocyclohexyl)methylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCC2CCCCC2(F)F)cn1
InChIInChI=1S/C12H15F2N3O2/c13-12(14)4-2-1-3-8(12)5-16-10-7-15-9(6-17-10)11(18)19/h6-8H,1-5H2,(H,16,17)(H,18,19)
InChIKeyQBCRPOKYEQKRNM-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.41
Rot. Bonds4

About 5-[(2,2-difluorocyclohexyl)methylamino]pyrazine-2-carboxylic acid

5-[(2,2-difluorocyclohexyl)methylamino]pyrazine-2-carboxylic acid (PubChem CID 122057804) has the molecular formula C12H15F2N3O2 and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-[(2,2-difluorocyclohexyl)methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,2-difluorocyclohexyl)methylamino]pyrazine-2-carboxylic acid
PubChem CID122057804
Molecular FormulaC12H15F2N3O2
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name5-[(2,2-difluorocyclohexyl)methylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCC2CCCCC2(F)F)cn1
InChIInChI=1S/C12H15F2N3O2/c13-12(14)4-2-1-3-8(12)5-16-10-7-15-9(6-17-10)11(18)19/h6-8H,1-5H2,(H,16,17)(H,18,19)
InChIKeyQBCRPOKYEQKRNM-UHFFFAOYSA-N
XLogP2.41
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-1H-imidazole-4-carboxylic acid
CID 3011562
Sodium 3-amino-5-(cyclohexanecarbonylamino)pyrazine-2-carboxylate
CID 168284357
6-(Ethylamino)pyrazine-2-carboxylic acid
CID 14500876
5-((2,2,2-Trifluoroethyl)amino)pyrazine-2-carboxylic acid
CID 64271887
3-[(3-Cyclopentylpropyl)amino]pyrazine-2-carboxylic acid
CID 114136465
3-[3-Cyclopentylpropyl(methyl)amino]pyrazine-2-carboxylic acid
CID 132426246
5-(Ethylamino)pyrazine-2-carboxylic acid
CID 64271678
6-[4-(Trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 66449183
2-Pyrazinecarboxylicacid,5-(4,4-difluoro-1-piperidinyl)-
CID 67151708
5-Cyclohexylamino-6-(2,2,2-trifluoro-ethoxy)-pyrazine-2-carboxylic acid
CID 68567970
3-(2,2-Difluoroethylamino)pyrazine-2-carboxylic acid
CID 115408711
5-(3-Ethyl-4-fluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 168393961

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-difluorocyclohexyl)methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(2,2-difluorocyclohexyl)methylamino]pyrazine-2-carboxylic acid (CID 122057804) is 5-[(2,2-difluorocyclohexyl)methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(2,2-difluorocyclohexyl)methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(2,2-difluorocyclohexyl)methylamino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NCC2CCCCC2(F)F)cn1.
What is the InChIKey of 5-[(2,2-difluorocyclohexyl)methylamino]pyrazine-2-carboxylic acid?
The InChIKey is QBCRPOKYEQKRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O2/c13-12(14)4-2-1-3-8(12)5-16-10-7-15-9(6-17-10)11(18)19/h6-8H,1-5H2,(H,16,17)(H,18,19).
What are the key properties of 5-[(2,2-difluorocyclohexyl)methylamino]pyrazine-2-carboxylic acid?
5-[(2,2-difluorocyclohexyl)methylamino]pyrazine-2-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-difluorocyclohexyl)methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122057804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).