2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid

C12H17N3O2 — CID 64701383

IUPAC2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(Nc2cnccn2)CCCCC1
InChIInChI=1S/C12H17N3O2/c16-11(17)8-12(4-2-1-3-5-12)15-10-9-13-6-7-14-10/h6-7,9H,1-5,8H2,(H,14,15)(H,16,17)
InChIKeyMOVBEIRXMJYUKG-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.07
Rot. Bonds4

About 2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid

2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid (PubChem CID 64701383) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid
PubChem CID64701383
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(Nc2cnccn2)CCCCC1
InChIInChI=1S/C12H17N3O2/c16-11(17)8-12(4-2-1-3-5-12)15-10-9-13-6-7-14-10/h6-7,9H,1-5,8H2,(H,14,15)(H,16,17)
InChIKeyMOVBEIRXMJYUKG-UHFFFAOYSA-N
XLogP2.07
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid
CID 64701575
2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid
CID 64701184
2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid
CID 64701158
2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid
CID 64702363
2-[1-[(6-propan-2-yloxypyrazin-2-yl)amino]cyclohexyl]acetic acid
CID 64701576
2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid
CID 64672336
2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid
CID 64700995
2-[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]acetic acid
CID 64700993
2-[1-[(6-propylpyrimidin-4-yl)amino]cyclopentyl]acetic acid
CID 64701746
2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701210
2-[1-(1,3-thiazol-2-ylamino)cyclobutyl]acetic acid
CID 79846026
2-[1-[(2-pyridin-4-ylacetyl)amino]cyclopentyl]acetic acid
CID 64672788

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid (CID 64701383) is 2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid is O=C(O)CC1(Nc2cnccn2)CCCCC1.
What is the InChIKey of 2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid?
The InChIKey is MOVBEIRXMJYUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-11(17)8-12(4-2-1-3-5-12)15-10-9-13-6-7-14-10/h6-7,9H,1-5,8H2,(H,14,15)(H,16,17).
What are the key properties of 2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid?
2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid has a molecular weight of 235.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 64701383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).