3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid

C11H15N3O2 — CID 63044232

IUPAC3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(Nc2cnccn2)C1
InChIInChI=1S/C11H15N3O2/c15-11(16)8-2-1-3-9(6-8)14-10-7-12-4-5-13-10/h4-5,7-9H,1-3,6H2,(H,13,14)(H,15,16)
InChIKeyUNJYOBIWXMEZSB-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.53
Rot. Bonds3

About 3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid

3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid (PubChem CID 63044232) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
PubChem CID63044232
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(Nc2cnccn2)C1
InChIInChI=1S/C11H15N3O2/c15-11(16)8-2-1-3-9(6-8)14-10-7-12-4-5-13-10/h4-5,7-9H,1-3,6H2,(H,13,14)(H,15,16)
InChIKeyUNJYOBIWXMEZSB-UHFFFAOYSA-N
XLogP1.53
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid (CID 63044232) is 3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(Nc2cnccn2)C1.
What is the InChIKey of 3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid?
The InChIKey is UNJYOBIWXMEZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11(16)8-2-1-3-9(6-8)14-10-7-12-4-5-13-10/h4-5,7-9H,1-3,6H2,(H,13,14)(H,15,16).
What are the key properties of 3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid?
3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63044232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).