5-chloro-6-(2-methylpropyl)pyrazine-2,3-dicarbonitrile

C10H9ClN4 — CID 12907203

IUPAC5-chloro-6-(2-methylpropyl)pyrazine-2,3-dicarbonitrile
SMILESCC(C)Cc1nc(C#N)c(C#N)nc1Cl
InChIInChI=1S/C10H9ClN4/c1-6(2)3-7-10(11)15-9(5-13)8(4-12)14-7/h6H,3H2,1-2H3
InChIKeyZUHAKWKXZINFKV-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.07
Rot. Bonds2

About 5-chloro-6-(2-methylpropyl)pyrazine-2,3-dicarbonitrile

5-chloro-6-(2-methylpropyl)pyrazine-2,3-dicarbonitrile (PubChem CID 12907203) has the molecular formula C10H9ClN4 and a molecular weight of 220.66 g/mol. Its IUPAC name is 5-chloro-6-(2-methylpropyl)pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-chloro-6-(2-methylpropyl)pyrazine-2,3-dicarbonitrile
PubChem CID12907203
Molecular FormulaC10H9ClN4
Molecular Weight220.66 g/mol
Exact Mass220.05
IUPAC Name5-chloro-6-(2-methylpropyl)pyrazine-2,3-dicarbonitrile
SMILESCC(C)Cc1nc(C#N)c(C#N)nc1Cl
InChIInChI=1S/C10H9ClN4/c1-6(2)3-7-10(11)15-9(5-13)8(4-12)14-7/h6H,3H2,1-2H3
InChIKeyZUHAKWKXZINFKV-UHFFFAOYSA-N
XLogP2.07
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-methylpropyl)pyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-chloro-6-(2-methylpropyl)pyrazine-2,3-dicarbonitrile (CID 12907203) is 5-chloro-6-(2-methylpropyl)pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-chloro-6-(2-methylpropyl)pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-chloro-6-(2-methylpropyl)pyrazine-2,3-dicarbonitrile is CC(C)Cc1nc(C#N)c(C#N)nc1Cl.
What is the InChIKey of 5-chloro-6-(2-methylpropyl)pyrazine-2,3-dicarbonitrile?
The InChIKey is ZUHAKWKXZINFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4/c1-6(2)3-7-10(11)15-9(5-13)8(4-12)14-7/h6H,3H2,1-2H3.
What are the key properties of 5-chloro-6-(2-methylpropyl)pyrazine-2,3-dicarbonitrile?
5-chloro-6-(2-methylpropyl)pyrazine-2,3-dicarbonitrile has a molecular weight of 220.66 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-methylpropyl)pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 12907203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).