5-amino-3-butyl-6-chloropyrazine-2-carbonitrile

C9H11ClN4 — CID 89081665

IUPAC5-amino-3-butyl-6-chloropyrazine-2-carbonitrile
SMILESCCCCc1nc(N)c(Cl)nc1C#N
InChIInChI=1S/C9H11ClN4/c1-2-3-4-6-7(5-11)13-8(10)9(12)14-6/h2-4H2,1H3,(H2,12,14)
InChIKeyQAUJGPPPQNISOY-UHFFFAOYSA-N
MW210.67 g/mol
LogP1.93
Rot. Bonds3

About 5-amino-3-butyl-6-chloropyrazine-2-carbonitrile

5-amino-3-butyl-6-chloropyrazine-2-carbonitrile (PubChem CID 89081665) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is 5-amino-3-butyl-6-chloropyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-3-butyl-6-chloropyrazine-2-carbonitrile
PubChem CID89081665
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name5-amino-3-butyl-6-chloropyrazine-2-carbonitrile
SMILESCCCCc1nc(N)c(Cl)nc1C#N
InChIInChI=1S/C9H11ClN4/c1-2-3-4-6-7(5-11)13-8(10)9(12)14-6/h2-4H2,1H3,(H2,12,14)
InChIKeyQAUJGPPPQNISOY-UHFFFAOYSA-N
XLogP1.93
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-butyl-6-chloropyrazine-2-carbonitrile?
The IUPAC name of 5-amino-3-butyl-6-chloropyrazine-2-carbonitrile (CID 89081665) is 5-amino-3-butyl-6-chloropyrazine-2-carbonitrile.
What is the SMILES notation for 5-amino-3-butyl-6-chloropyrazine-2-carbonitrile?
The canonical SMILES for 5-amino-3-butyl-6-chloropyrazine-2-carbonitrile is CCCCc1nc(N)c(Cl)nc1C#N.
What is the InChIKey of 5-amino-3-butyl-6-chloropyrazine-2-carbonitrile?
The InChIKey is QAUJGPPPQNISOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4/c1-2-3-4-6-7(5-11)13-8(10)9(12)14-6/h2-4H2,1H3,(H2,12,14).
What are the key properties of 5-amino-3-butyl-6-chloropyrazine-2-carbonitrile?
5-amino-3-butyl-6-chloropyrazine-2-carbonitrile has a molecular weight of 210.67 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-butyl-6-chloropyrazine-2-carbonitrile is sourced from PubChem (CID 89081665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).