5-propylpyrazine-2-carbonitrile

C8H9N3 — CID 20725734

IUPAC5-propylpyrazine-2-carbonitrile
SMILESCCCc1cnc(C#N)cn1
InChIInChI=1S/C8H9N3/c1-2-3-7-5-11-8(4-9)6-10-7/h5-6H,2-3H2,1H3
InChIKeyZZCRRXPEQMKCHJ-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.30
Rot. Bonds2

About 5-propylpyrazine-2-carbonitrile

5-propylpyrazine-2-carbonitrile (PubChem CID 20725734) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 5-propylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-propylpyrazine-2-carbonitrile
PubChem CID20725734
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name5-propylpyrazine-2-carbonitrile
SMILESCCCc1cnc(C#N)cn1
InChIInChI=1S/C8H9N3/c1-2-3-7-5-11-8(4-9)6-10-7/h5-6H,2-3H2,1H3
InChIKeyZZCRRXPEQMKCHJ-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propylpyrazine-2-carbonitrile?
The IUPAC name of 5-propylpyrazine-2-carbonitrile (CID 20725734) is 5-propylpyrazine-2-carbonitrile.
What is the SMILES notation for 5-propylpyrazine-2-carbonitrile?
The canonical SMILES for 5-propylpyrazine-2-carbonitrile is CCCc1cnc(C#N)cn1.
What is the InChIKey of 5-propylpyrazine-2-carbonitrile?
The InChIKey is ZZCRRXPEQMKCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-2-3-7-5-11-8(4-9)6-10-7/h5-6H,2-3H2,1H3.
What are the key properties of 5-propylpyrazine-2-carbonitrile?
5-propylpyrazine-2-carbonitrile has a molecular weight of 147.18 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylpyrazine-2-carbonitrile is sourced from PubChem (CID 20725734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).