5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile

C9H7ClN4 — CID 86170280

IUPAC5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile
SMILESCC(C)c1nc(C#N)c(C#N)nc1Cl
InChIInChI=1S/C9H7ClN4/c1-5(2)8-9(10)14-7(4-12)6(3-11)13-8/h5H,1-2H3
InChIKeyZKRGEAAERGQNLW-UHFFFAOYSA-N
MW206.64 g/mol
LogP2.00
Rot. Bonds1

About 5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile

5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile (PubChem CID 86170280) has the molecular formula C9H7ClN4 and a molecular weight of 206.64 g/mol. Its IUPAC name is 5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile
PubChem CID86170280
Molecular FormulaC9H7ClN4
Molecular Weight206.64 g/mol
Exact Mass206.04
IUPAC Name5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile
SMILESCC(C)c1nc(C#N)c(C#N)nc1Cl
InChIInChI=1S/C9H7ClN4/c1-5(2)8-9(10)14-7(4-12)6(3-11)13-8/h5H,1-2H3
InChIKeyZKRGEAAERGQNLW-UHFFFAOYSA-N
XLogP2.00
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.64
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-Dichloro-3,6-di(propan-2-yl)pyrazine
CID 12429637
3,5-Dichloro-6-ethylpyrazine-2-carbonitrile
CID 84819877
2-(3,5,6-Trichloropyrazin-2-yl)propanedinitrile
CID 13101674
2-(3-Chloro-5,6-dicyano-2-pyrazinyl)malononitrile
CID 129784218
5-Tert-butyl-6-chloro-2,3-pyrazinedicarbonitrile
CID 10857036
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-methylpyrazine-2,3-dicarbonitrile
CID 12907198
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
5-Chloro-6-pentylpyrazine-2,3-dicarbonitrile
CID 12907202

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile (CID 86170280) is 5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile is CC(C)c1nc(C#N)c(C#N)nc1Cl.
What is the InChIKey of 5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile?
The InChIKey is ZKRGEAAERGQNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4/c1-5(2)8-9(10)14-7(4-12)6(3-11)13-8/h5H,1-2H3.
What are the key properties of 5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile?
5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile has a molecular weight of 206.64 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 86170280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).