3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile

C15H13Cl2N5 — CID 171335787

IUPAC3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H13Cl2N5/c16-12-2-1-11(9-13(12)17)21-5-7-22(8-6-21)15-14(10-18)19-3-4-20-15/h1-4,9H,5-8H2
InChIKeyMHFYZABDFSXNNA-UHFFFAOYSA-N
MW334.21 g/mol
LogP2.98
Rot. Bonds2

About 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile

3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 171335787) has the molecular formula C15H13Cl2N5 and a molecular weight of 334.21 g/mol. Its IUPAC name is 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID171335787
Molecular FormulaC15H13Cl2N5
Molecular Weight334.21 g/mol
Exact Mass333.05
IUPAC Name3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H13Cl2N5/c16-12-2-1-11(9-13(12)17)21-5-7-22(8-6-21)15-14(10-18)19-3-4-20-15/h1-4,9H,5-8H2
InChIKeyMHFYZABDFSXNNA-UHFFFAOYSA-N
XLogP2.98
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile (CID 171335787) is 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is MHFYZABDFSXNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5/c16-12-2-1-11(9-13(12)17)21-5-7-22(8-6-21)15-14(10-18)19-3-4-20-15/h1-4,9H,5-8H2.
What are the key properties of 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile?
3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 334.21 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 171335787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).