5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile;ethane

C11H13ClN4 — CID 143982945

IUPAC5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile;ethane
SMILESCC.CC(C)c1nc(C#N)c(C#N)nc1Cl
InChIInChI=1S/C9H7ClN4.C2H6/c1-5(2)8-9(10)14-7(4-12)6(3-11)13-8;1-2/h5H,1-2H3;1-2H3
InChIKeyXIFPAJOMBLIRSW-UHFFFAOYSA-N
MW236.71 g/mol
LogP3.02
Rot. Bonds1

About 5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile;ethane

5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile;ethane (PubChem CID 143982945) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile;ethane.

Molecular Properties

Compound Name5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile;ethane
PubChem CID143982945
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile;ethane
SMILESCC.CC(C)c1nc(C#N)c(C#N)nc1Cl
InChIInChI=1S/C9H7ClN4.C2H6/c1-5(2)8-9(10)14-7(4-12)6(3-11)13-8;1-2/h5H,1-2H3;1-2H3
InChIKeyXIFPAJOMBLIRSW-UHFFFAOYSA-N
XLogP3.02
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile;ethane?
The IUPAC name of 5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile;ethane (CID 143982945) is 5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile;ethane.
What is the SMILES notation for 5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile;ethane?
The canonical SMILES for 5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile;ethane is CC.CC(C)c1nc(C#N)c(C#N)nc1Cl.
What is the InChIKey of 5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile;ethane?
The InChIKey is XIFPAJOMBLIRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4.C2H6/c1-5(2)8-9(10)14-7(4-12)6(3-11)13-8;1-2/h5H,1-2H3;1-2H3.
What are the key properties of 5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile;ethane?
5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile;ethane has a molecular weight of 236.71 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile;ethane is sourced from PubChem (CID 143982945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).