2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine

C11H17ClN4 — CID 61362795

IUPAC2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine
SMILESCC(C)N1CCN(c2cncc(Cl)n2)CC1
InChIInChI=1S/C11H17ClN4/c1-9(2)15-3-5-16(6-4-15)11-8-13-7-10(12)14-11/h7-9H,3-6H2,1-2H3
InChIKeyVJRKPRVOEGKYIP-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.66
Rot. Bonds2

About 2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine

2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine (PubChem CID 61362795) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine
PubChem CID61362795
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine
SMILESCC(C)N1CCN(c2cncc(Cl)n2)CC1
InChIInChI=1S/C11H17ClN4/c1-9(2)15-3-5-16(6-4-15)11-8-13-7-10(12)14-11/h7-9H,3-6H2,1-2H3
InChIKeyVJRKPRVOEGKYIP-UHFFFAOYSA-N
XLogP1.66
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine (CID 61362795) is 2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine is CC(C)N1CCN(c2cncc(Cl)n2)CC1.
What is the InChIKey of 2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine?
The InChIKey is VJRKPRVOEGKYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-9(2)15-3-5-16(6-4-15)11-8-13-7-10(12)14-11/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine?
2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine has a molecular weight of 240.74 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 61362795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).