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

C9H7ClN4 — CID 12907200

IUPAC5-chloro-6-propylpyrazine-2,3-dicarbonitrile
SMILESCCCc1nc(C#N)c(C#N)nc1Cl
InChIInChI=1S/C9H7ClN4/c1-2-3-6-9(10)14-8(5-12)7(4-11)13-6/h2-3H2,1H3
InChIKeyIRNHUICHRWGEBD-UHFFFAOYSA-N
MW206.64 g/mol
LogP1.83
Rot. Bonds2

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

5-chloro-6-propylpyrazine-2,3-dicarbonitrile (PubChem CID 12907200) has the molecular formula C9H7ClN4 and a molecular weight of 206.64 g/mol. Its IUPAC name is 5-chloro-6-propylpyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-chloro-6-propylpyrazine-2,3-dicarbonitrile
PubChem CID12907200
Molecular FormulaC9H7ClN4
Molecular Weight206.64 g/mol
Exact Mass206.04
IUPAC Name5-chloro-6-propylpyrazine-2,3-dicarbonitrile
SMILESCCCc1nc(C#N)c(C#N)nc1Cl
InChIInChI=1S/C9H7ClN4/c1-2-3-6-9(10)14-8(5-12)7(4-11)13-6/h2-3H2,1H3
InChIKeyIRNHUICHRWGEBD-UHFFFAOYSA-N
XLogP1.83
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.64
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Dichloro-6-ethylpyrazine-2-carbonitrile
CID 84819877
2,5-Dichloro-3,6-dipropylpyrazine
CID 12429636
2-(3-Chloro-5,6-dicyano-2-pyrazinyl)malononitrile
CID 129784218
5-Tert-butyl-6-chloro-2,3-pyrazinedicarbonitrile
CID 10857036
5-Chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile
CID 86170280
3-Chloro-5-ethyl-6-methyl-pyrazine-2-carbonitrile
CID 11159679
3-Chloro-6-ethyl-5-methyl-pyrazine-2-carbonitrile
CID 11355861
5-Chloro-6-ethylpyrazine-2,3-dicarbonitrile
CID 12907199
5-Butyl-6-chloropyrazine-2,3-dicarbonitrile
CID 12907201
5-Chloro-6-pentylpyrazine-2,3-dicarbonitrile
CID 12907202
2,3-Dicyano-5-chloro-6-isobutylpyrazine
CID 12907203
5-Chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile;ethane
CID 143982945

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-propylpyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-chloro-6-propylpyrazine-2,3-dicarbonitrile (CID 12907200) is 5-chloro-6-propylpyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-chloro-6-propylpyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-chloro-6-propylpyrazine-2,3-dicarbonitrile is CCCc1nc(C#N)c(C#N)nc1Cl.
What is the InChIKey of 5-chloro-6-propylpyrazine-2,3-dicarbonitrile?
The InChIKey is IRNHUICHRWGEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4/c1-2-3-6-9(10)14-8(5-12)7(4-11)13-6/h2-3H2,1H3.
What are the key properties of 5-chloro-6-propylpyrazine-2,3-dicarbonitrile?
5-chloro-6-propylpyrazine-2,3-dicarbonitrile has a molecular weight of 206.64 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-propylpyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 12907200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).