2-chloro-3-(3,4-dimethylpyrrolidin-1-yl)-5,6-dimethylpyrazine

C12H18ClN3 — CID 79181070

IUPAC2-chloro-3-(3,4-dimethylpyrrolidin-1-yl)-5,6-dimethylpyrazine
SMILESCc1nc(Cl)c(N2CC(C)C(C)C2)nc1C
InChIInChI=1S/C12H18ClN3/c1-7-5-16(6-8(7)2)12-11(13)14-9(3)10(4)15-12/h7-8H,5-6H2,1-4H3
InChIKeyMHZDJONIOOEROQ-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.84
Rot. Bonds1

About 2-chloro-3-(3,4-dimethylpyrrolidin-1-yl)-5,6-dimethylpyrazine

2-chloro-3-(3,4-dimethylpyrrolidin-1-yl)-5,6-dimethylpyrazine (PubChem CID 79181070) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-3-(3,4-dimethylpyrrolidin-1-yl)-5,6-dimethylpyrazine.

Molecular Properties

Compound Name2-chloro-3-(3,4-dimethylpyrrolidin-1-yl)-5,6-dimethylpyrazine
PubChem CID79181070
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name2-chloro-3-(3,4-dimethylpyrrolidin-1-yl)-5,6-dimethylpyrazine
SMILESCc1nc(Cl)c(N2CC(C)C(C)C2)nc1C
InChIInChI=1S/C12H18ClN3/c1-7-5-16(6-8(7)2)12-11(13)14-9(3)10(4)15-12/h7-8H,5-6H2,1-4H3
InChIKeyMHZDJONIOOEROQ-UHFFFAOYSA-N
XLogP2.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3,4-dimethylpyrrolidin-1-yl)-5,6-dimethylpyrazine?
The IUPAC name of 2-chloro-3-(3,4-dimethylpyrrolidin-1-yl)-5,6-dimethylpyrazine (CID 79181070) is 2-chloro-3-(3,4-dimethylpyrrolidin-1-yl)-5,6-dimethylpyrazine.
What is the SMILES notation for 2-chloro-3-(3,4-dimethylpyrrolidin-1-yl)-5,6-dimethylpyrazine?
The canonical SMILES for 2-chloro-3-(3,4-dimethylpyrrolidin-1-yl)-5,6-dimethylpyrazine is Cc1nc(Cl)c(N2CC(C)C(C)C2)nc1C.
What is the InChIKey of 2-chloro-3-(3,4-dimethylpyrrolidin-1-yl)-5,6-dimethylpyrazine?
The InChIKey is MHZDJONIOOEROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-7-5-16(6-8(7)2)12-11(13)14-9(3)10(4)15-12/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-chloro-3-(3,4-dimethylpyrrolidin-1-yl)-5,6-dimethylpyrazine?
2-chloro-3-(3,4-dimethylpyrrolidin-1-yl)-5,6-dimethylpyrazine has a molecular weight of 239.75 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3,4-dimethylpyrrolidin-1-yl)-5,6-dimethylpyrazine is sourced from PubChem (CID 79181070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).