2,2,3-trimethyl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid

C14H21N3O2 — CID 102628098

IUPAC2,2,3-trimethyl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
SMILESCC1C(Nc2cnccn2)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C14H21N3O2/c1-9-11(17-12-8-15-6-7-16-12)5-4-10(13(18)19)14(9,2)3/h6-11H,4-5H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyFRMFDTYSXODJBN-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.41
Rot. Bonds3

About 2,2,3-trimethyl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid

2,2,3-trimethyl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid (PubChem CID 102628098) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2,2,3-trimethyl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
PubChem CID102628098
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2,2,3-trimethyl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
SMILESCC1C(Nc2cnccn2)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C14H21N3O2/c1-9-11(17-12-8-15-6-7-16-12)5-4-10(13(18)19)14(9,2)3/h6-11H,4-5H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyFRMFDTYSXODJBN-UHFFFAOYSA-N
XLogP2.41
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2,2,3-trimethyl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid (CID 102628098) is 2,2,3-trimethyl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2,2,3-trimethyl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2,2,3-trimethyl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid is CC1C(Nc2cnccn2)CCC(C(=O)O)C1(C)C.
What is the InChIKey of 2,2,3-trimethyl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid?
The InChIKey is FRMFDTYSXODJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-11(17-12-8-15-6-7-16-12)5-4-10(13(18)19)14(9,2)3/h6-11H,4-5H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2,2,3-trimethyl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid?
2,2,3-trimethyl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid has a molecular weight of 263.34 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 2,2,3-trimethyl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 102628098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).