5-chloro-6-pentylpyrazine-2,3-dicarbonitrile

C11H11ClN4 — CID 12907202

IUPAC5-chloro-6-pentylpyrazine-2,3-dicarbonitrile
SMILESCCCCCc1nc(C#N)c(C#N)nc1Cl
InChIInChI=1S/C11H11ClN4/c1-2-3-4-5-8-11(12)16-10(7-14)9(6-13)15-8/h2-5H2,1H3
InChIKeyRGNRGDPCWPULRJ-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.61
Rot. Bonds4

About 5-chloro-6-pentylpyrazine-2,3-dicarbonitrile

5-chloro-6-pentylpyrazine-2,3-dicarbonitrile (PubChem CID 12907202) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 5-chloro-6-pentylpyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-chloro-6-pentylpyrazine-2,3-dicarbonitrile
PubChem CID12907202
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name5-chloro-6-pentylpyrazine-2,3-dicarbonitrile
SMILESCCCCCc1nc(C#N)c(C#N)nc1Cl
InChIInChI=1S/C11H11ClN4/c1-2-3-4-5-8-11(12)16-10(7-14)9(6-13)15-8/h2-5H2,1H3
InChIKeyRGNRGDPCWPULRJ-UHFFFAOYSA-N
XLogP2.61
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-Dichloro-3,6-dipropylpyrazine
CID 12429636
5-Tert-butyl-6-chloro-2,3-pyrazinedicarbonitrile
CID 10857036
5-Chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile
CID 86170280
5-Chloro-6-ethylpyrazine-2,3-dicarbonitrile
CID 12907199
2,3-Dicyano-5-chloro-6-n-propylpyrazine
CID 12907200
5-Butyl-6-chloropyrazine-2,3-dicarbonitrile
CID 12907201
2,3-Dicyano-5-chloro-6-isobutylpyrazine
CID 12907203
3-Chloro-5,6-diethylpyrazine-2-carbonitrile
CID 23353213
2-Chloro-3,6-dimethyl-5-pentylpyrazine
CID 87836959
5-Chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile;ethane
CID 143982945
2-(3-Chloro-5,6-dimethyl-2-pyrazinyl)propanedinitrile
CID 156869672
2-(3-chloro-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyrazin-2-yl)propanedinitrile
CID 169806368

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-pentylpyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-chloro-6-pentylpyrazine-2,3-dicarbonitrile (CID 12907202) is 5-chloro-6-pentylpyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-chloro-6-pentylpyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-chloro-6-pentylpyrazine-2,3-dicarbonitrile is CCCCCc1nc(C#N)c(C#N)nc1Cl.
What is the InChIKey of 5-chloro-6-pentylpyrazine-2,3-dicarbonitrile?
The InChIKey is RGNRGDPCWPULRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-2-3-4-5-8-11(12)16-10(7-14)9(6-13)15-8/h2-5H2,1H3.
What are the key properties of 5-chloro-6-pentylpyrazine-2,3-dicarbonitrile?
5-chloro-6-pentylpyrazine-2,3-dicarbonitrile has a molecular weight of 234.69 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-pentylpyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 12907202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).