3-chloro-5,6-diethylpyrazine-2-carbonitrile

C9H10ClN3 — CID 23353213

IUPAC3-chloro-5,6-diethylpyrazine-2-carbonitrile
SMILESCCc1nc(Cl)c(C#N)nc1CC
InChIInChI=1S/C9H10ClN3/c1-3-6-7(4-2)13-9(10)8(5-11)12-6/h3-4H2,1-2H3
InChIKeyFHYFXVGDENUCRO-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.13
Rot. Bonds2

About 3-chloro-5,6-diethylpyrazine-2-carbonitrile

3-chloro-5,6-diethylpyrazine-2-carbonitrile (PubChem CID 23353213) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 3-chloro-5,6-diethylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-5,6-diethylpyrazine-2-carbonitrile
PubChem CID23353213
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name3-chloro-5,6-diethylpyrazine-2-carbonitrile
SMILESCCc1nc(Cl)c(C#N)nc1CC
InChIInChI=1S/C9H10ClN3/c1-3-6-7(4-2)13-9(10)8(5-11)12-6/h3-4H2,1-2H3
InChIKeyFHYFXVGDENUCRO-UHFFFAOYSA-N
XLogP2.13
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,6-diethylpyrazine-2-carbonitrile?
The IUPAC name of 3-chloro-5,6-diethylpyrazine-2-carbonitrile (CID 23353213) is 3-chloro-5,6-diethylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-chloro-5,6-diethylpyrazine-2-carbonitrile?
The canonical SMILES for 3-chloro-5,6-diethylpyrazine-2-carbonitrile is CCc1nc(Cl)c(C#N)nc1CC.
What is the InChIKey of 3-chloro-5,6-diethylpyrazine-2-carbonitrile?
The InChIKey is FHYFXVGDENUCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c1-3-6-7(4-2)13-9(10)8(5-11)12-6/h3-4H2,1-2H3.
What are the key properties of 3-chloro-5,6-diethylpyrazine-2-carbonitrile?
3-chloro-5,6-diethylpyrazine-2-carbonitrile has a molecular weight of 195.65 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6-diethylpyrazine-2-carbonitrile is sourced from PubChem (CID 23353213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).