3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-hydroxyethylamino)pyrazine-2-carbonitrile

C17H19FN6O — CID 18753202

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-hydroxyethylamino)pyrazine-2-carbonitrile
SMILESN#Cc1ncc(NCCO)nc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H19FN6O/c18-13-1-3-14(4-2-13)23-6-8-24(9-7-23)17-15(11-19)21-12-16(22-17)20-5-10-25/h1-4,12,25H,5-10H2,(H,20,22)
InChIKeyUJCQZKAGKNQIGW-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.22
Rot. Bonds5

About 3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-hydroxyethylamino)pyrazine-2-carbonitrile

3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-hydroxyethylamino)pyrazine-2-carbonitrile (PubChem CID 18753202) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-hydroxyethylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-hydroxyethylamino)pyrazine-2-carbonitrile
PubChem CID18753202
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-hydroxyethylamino)pyrazine-2-carbonitrile
SMILESN#Cc1ncc(NCCO)nc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H19FN6O/c18-13-1-3-14(4-2-13)23-6-8-24(9-7-23)17-15(11-19)21-12-16(22-17)20-5-10-25/h1-4,12,25H,5-10H2,(H,20,22)
InChIKeyUJCQZKAGKNQIGW-UHFFFAOYSA-N
XLogP1.22
TPSA88.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-hydroxyethylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-hydroxyethylamino)pyrazine-2-carbonitrile (CID 18753202) is 3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-hydroxyethylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-hydroxyethylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-hydroxyethylamino)pyrazine-2-carbonitrile is N#Cc1ncc(NCCO)nc1N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-hydroxyethylamino)pyrazine-2-carbonitrile?
The InChIKey is UJCQZKAGKNQIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c18-13-1-3-14(4-2-13)23-6-8-24(9-7-23)17-15(11-19)21-12-16(22-17)20-5-10-25/h1-4,12,25H,5-10H2,(H,20,22).
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-hydroxyethylamino)pyrazine-2-carbonitrile?
3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-hydroxyethylamino)pyrazine-2-carbonitrile has a molecular weight of 342.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-hydroxyethylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 18753202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).