2-[1-[[(6-chloropyrazin-2-yl)amino]methyl]cyclohexyl]acetic acid

C13H18ClN3O2 — CID 114335389

IUPAC2-[1-[[(6-chloropyrazin-2-yl)amino]methyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CNc2cncc(Cl)n2)CCCCC1
InChIInChI=1S/C13H18ClN3O2/c14-10-7-15-8-11(17-10)16-9-13(6-12(18)19)4-2-1-3-5-13/h7-8H,1-6,9H2,(H,16,17)(H,18,19)
InChIKeyTUKXXPCUZKZEAJ-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.97
Rot. Bonds5

About 2-[1-[[(6-chloropyrazin-2-yl)amino]methyl]cyclohexyl]acetic acid

2-[1-[[(6-chloropyrazin-2-yl)amino]methyl]cyclohexyl]acetic acid (PubChem CID 114335389) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-[1-[[(6-chloropyrazin-2-yl)amino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(6-chloropyrazin-2-yl)amino]methyl]cyclohexyl]acetic acid
PubChem CID114335389
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-[1-[[(6-chloropyrazin-2-yl)amino]methyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CNc2cncc(Cl)n2)CCCCC1
InChIInChI=1S/C13H18ClN3O2/c14-10-7-15-8-11(17-10)16-9-13(6-12(18)19)4-2-1-3-5-13/h7-8H,1-6,9H2,(H,16,17)(H,18,19)
InChIKeyTUKXXPCUZKZEAJ-UHFFFAOYSA-N
XLogP2.97
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(6-chloropyrazin-2-yl)amino]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[(6-chloropyrazin-2-yl)amino]methyl]cyclohexyl]acetic acid (CID 114335389) is 2-[1-[[(6-chloropyrazin-2-yl)amino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[(6-chloropyrazin-2-yl)amino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[(6-chloropyrazin-2-yl)amino]methyl]cyclohexyl]acetic acid is O=C(O)CC1(CNc2cncc(Cl)n2)CCCCC1.
What is the InChIKey of 2-[1-[[(6-chloropyrazin-2-yl)amino]methyl]cyclohexyl]acetic acid?
The InChIKey is TUKXXPCUZKZEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c14-10-7-15-8-11(17-10)16-9-13(6-12(18)19)4-2-1-3-5-13/h7-8H,1-6,9H2,(H,16,17)(H,18,19).
What are the key properties of 2-[1-[[(6-chloropyrazin-2-yl)amino]methyl]cyclohexyl]acetic acid?
2-[1-[[(6-chloropyrazin-2-yl)amino]methyl]cyclohexyl]acetic acid has a molecular weight of 283.76 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(6-chloropyrazin-2-yl)amino]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 114335389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).