3-chloro-N-[(1S,2S)-2-methylcyclopentyl]-5-(trifluoromethyl)pyrazin-2-amine

C11H13ClF3N3 — CID 118438539

IUPAC3-chloro-N-[(1S,2S)-2-methylcyclopentyl]-5-(trifluoromethyl)pyrazin-2-amine
SMILESC[C@H]1CCC[C@@H]1Nc1ncc(C(F)(F)F)nc1Cl
InChIInChI=1S/C11H13ClF3N3/c1-6-3-2-4-7(6)17-10-9(12)18-8(5-16-10)11(13,14)15/h5-7H,2-4H2,1H3,(H,16,17)/t6-,7-/m0/s1
InChIKeyPRFCQDHXDKGHAL-BQBZGAKWSA-N
MW279.69 g/mol
LogP3.75
Rot. Bonds2

About 3-chloro-N-[(1S,2S)-2-methylcyclopentyl]-5-(trifluoromethyl)pyrazin-2-amine

3-chloro-N-[(1S,2S)-2-methylcyclopentyl]-5-(trifluoromethyl)pyrazin-2-amine (PubChem CID 118438539) has the molecular formula C11H13ClF3N3 and a molecular weight of 279.69 g/mol. Its IUPAC name is 3-chloro-N-[(1S,2S)-2-methylcyclopentyl]-5-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(1S,2S)-2-methylcyclopentyl]-5-(trifluoromethyl)pyrazin-2-amine
PubChem CID118438539
Molecular FormulaC11H13ClF3N3
Molecular Weight279.69 g/mol
Exact Mass279.08
IUPAC Name3-chloro-N-[(1S,2S)-2-methylcyclopentyl]-5-(trifluoromethyl)pyrazin-2-amine
SMILESC[C@H]1CCC[C@@H]1Nc1ncc(C(F)(F)F)nc1Cl
InChIInChI=1S/C11H13ClF3N3/c1-6-3-2-4-7(6)17-10-9(12)18-8(5-16-10)11(13,14)15/h5-7H,2-4H2,1H3,(H,16,17)/t6-,7-/m0/s1
InChIKeyPRFCQDHXDKGHAL-BQBZGAKWSA-N
XLogP3.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1S,2S)-2-methylcyclopentyl]-5-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 3-chloro-N-[(1S,2S)-2-methylcyclopentyl]-5-(trifluoromethyl)pyrazin-2-amine (CID 118438539) is 3-chloro-N-[(1S,2S)-2-methylcyclopentyl]-5-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-[(1S,2S)-2-methylcyclopentyl]-5-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-[(1S,2S)-2-methylcyclopentyl]-5-(trifluoromethyl)pyrazin-2-amine is C[C@H]1CCC[C@@H]1Nc1ncc(C(F)(F)F)nc1Cl.
What is the InChIKey of 3-chloro-N-[(1S,2S)-2-methylcyclopentyl]-5-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is PRFCQDHXDKGHAL-BQBZGAKWSA-N. The full InChI is InChI=1S/C11H13ClF3N3/c1-6-3-2-4-7(6)17-10-9(12)18-8(5-16-10)11(13,14)15/h5-7H,2-4H2,1H3,(H,16,17)/t6-,7-/m0/s1.
What are the key properties of 3-chloro-N-[(1S,2S)-2-methylcyclopentyl]-5-(trifluoromethyl)pyrazin-2-amine?
3-chloro-N-[(1S,2S)-2-methylcyclopentyl]-5-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 279.69 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1S,2S)-2-methylcyclopentyl]-5-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 118438539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).