6-(cycloheptylamino)pyrazine-2-carboxylic acid

C12H17N3O2 — CID 66458367

IUPAC6-(cycloheptylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(NC2CCCCCC2)n1
InChIInChI=1S/C12H17N3O2/c16-12(17)10-7-13-8-11(15-10)14-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,14,15)(H,16,17)
InChIKeyFMCIYUCRLWGEIS-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.31
Rot. Bonds3

About 6-(cycloheptylamino)pyrazine-2-carboxylic acid

6-(cycloheptylamino)pyrazine-2-carboxylic acid (PubChem CID 66458367) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-(cycloheptylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(cycloheptylamino)pyrazine-2-carboxylic acid
PubChem CID66458367
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-(cycloheptylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(NC2CCCCCC2)n1
InChIInChI=1S/C12H17N3O2/c16-12(17)10-7-13-8-11(15-10)14-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,14,15)(H,16,17)
InChIKeyFMCIYUCRLWGEIS-UHFFFAOYSA-N
XLogP2.31
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid
CID 66450152
6-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazine-2-carboxylic acid
CID 106361766
2-N-cyclooctyl-6-N-methylpyrazine-2,6-diamine
CID 80785345
2-N-cyclooctylpyrazine-2,6-diamine
CID 78988887
6-(cyclooctylamino)pyridazine-3-carboxylic acid
CID 60792420
2-[4-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]piperidin-1-yl]acetic acid
CID 135092980
6-chloro-N-cyclobutylpyrazin-2-amine
CID 62415214
methyl 6-[(1-methylpiperidin-3-yl)amino]pyrazine-2-carboxylate
CID 66455915
6-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyrazine-2-carboxylic acid
CID 66449925
6-(cyclopentylamino)pyridine-3-carboxylic acid
CID 1447952
methyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate
CID 113394825
pyrazine-2,6-dicarboxylic acid
CID 11601391

Frequently Asked Questions

What is the IUPAC name of 6-(cycloheptylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(cycloheptylamino)pyrazine-2-carboxylic acid (CID 66458367) is 6-(cycloheptylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(cycloheptylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(cycloheptylamino)pyrazine-2-carboxylic acid is O=C(O)c1cncc(NC2CCCCCC2)n1.
What is the InChIKey of 6-(cycloheptylamino)pyrazine-2-carboxylic acid?
The InChIKey is FMCIYUCRLWGEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12(17)10-7-13-8-11(15-10)14-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,14,15)(H,16,17).
What are the key properties of 6-(cycloheptylamino)pyrazine-2-carboxylic acid?
6-(cycloheptylamino)pyrazine-2-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cycloheptylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66458367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).