6-chloro-N-[(1S,2R)-2-fluorocyclopentyl]pyrazin-2-amine

C9H11ClFN3 — CID 131107616

IUPAC6-chloro-N-[(1S,2R)-2-fluorocyclopentyl]pyrazin-2-amine
SMILESF[C@@H]1CCC[C@@H]1Nc1cncc(Cl)n1
InChIInChI=1S/C9H11ClFN3/c10-8-4-12-5-9(14-8)13-7-3-1-2-6(7)11/h4-7H,1-3H2,(H,13,14)/t6-,7+/m1/s1
InChIKeyHIYYPUBVTIDNON-RQJHMYQMSA-N
MW215.66 g/mol
LogP2.43
Rot. Bonds2

About 6-chloro-N-[(1S,2R)-2-fluorocyclopentyl]pyrazin-2-amine

6-chloro-N-[(1S,2R)-2-fluorocyclopentyl]pyrazin-2-amine (PubChem CID 131107616) has the molecular formula C9H11ClFN3 and a molecular weight of 215.66 g/mol. Its IUPAC name is 6-chloro-N-[(1S,2R)-2-fluorocyclopentyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(1S,2R)-2-fluorocyclopentyl]pyrazin-2-amine
PubChem CID131107616
Molecular FormulaC9H11ClFN3
Molecular Weight215.66 g/mol
Exact Mass215.06
IUPAC Name6-chloro-N-[(1S,2R)-2-fluorocyclopentyl]pyrazin-2-amine
SMILESF[C@@H]1CCC[C@@H]1Nc1cncc(Cl)n1
InChIInChI=1S/C9H11ClFN3/c10-8-4-12-5-9(14-8)13-7-3-1-2-6(7)11/h4-7H,1-3H2,(H,13,14)/t6-,7+/m1/s1
InChIKeyHIYYPUBVTIDNON-RQJHMYQMSA-N
XLogP2.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1S,2R)-2-fluorocyclopentyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[(1S,2R)-2-fluorocyclopentyl]pyrazin-2-amine (CID 131107616) is 6-chloro-N-[(1S,2R)-2-fluorocyclopentyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[(1S,2R)-2-fluorocyclopentyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[(1S,2R)-2-fluorocyclopentyl]pyrazin-2-amine is F[C@@H]1CCC[C@@H]1Nc1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(1S,2R)-2-fluorocyclopentyl]pyrazin-2-amine?
The InChIKey is HIYYPUBVTIDNON-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H11ClFN3/c10-8-4-12-5-9(14-8)13-7-3-1-2-6(7)11/h4-7H,1-3H2,(H,13,14)/t6-,7+/m1/s1.
What are the key properties of 6-chloro-N-[(1S,2R)-2-fluorocyclopentyl]pyrazin-2-amine?
6-chloro-N-[(1S,2R)-2-fluorocyclopentyl]pyrazin-2-amine has a molecular weight of 215.66 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1S,2R)-2-fluorocyclopentyl]pyrazin-2-amine is sourced from PubChem (CID 131107616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).