6-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrazin-2-amine

C12H18ClN3 — CID 64915443

IUPAC6-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrazin-2-amine
SMILESCCC1CCC(Nc2cncc(Cl)n2)C1C
InChIInChI=1S/C12H18ClN3/c1-3-9-4-5-10(8(9)2)15-12-7-14-6-11(13)16-12/h6-10H,3-5H2,1-2H3,(H,15,16)
InChIKeyJPWCUJLXRFKEHE-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.37
Rot. Bonds3

About 6-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrazin-2-amine

6-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrazin-2-amine (PubChem CID 64915443) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 6-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrazin-2-amine
PubChem CID64915443
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name6-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrazin-2-amine
SMILESCCC1CCC(Nc2cncc(Cl)n2)C1C
InChIInChI=1S/C12H18ClN3/c1-3-9-4-5-10(8(9)2)15-12-7-14-6-11(13)16-12/h6-10H,3-5H2,1-2H3,(H,15,16)
InChIKeyJPWCUJLXRFKEHE-UHFFFAOYSA-N
XLogP3.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrazin-2-amine?
The IUPAC name of 6-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrazin-2-amine (CID 64915443) is 6-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrazin-2-amine is CCC1CCC(Nc2cncc(Cl)n2)C1C.
What is the InChIKey of 6-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrazin-2-amine?
The InChIKey is JPWCUJLXRFKEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-3-9-4-5-10(8(9)2)15-12-7-14-6-11(13)16-12/h6-10H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 6-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrazin-2-amine?
6-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrazin-2-amine has a molecular weight of 239.75 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrazin-2-amine is sourced from PubChem (CID 64915443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).