5-[4-(2-chlorophenyl)piperazin-1-yl]pyrazin-2-amine

C14H16ClN5 — CID 80653011

IUPAC5-[4-(2-chlorophenyl)piperazin-1-yl]pyrazin-2-amine
SMILESNc1cnc(N2CCN(c3ccccc3Cl)CC2)cn1
InChIInChI=1S/C14H16ClN5/c15-11-3-1-2-4-12(11)19-5-7-20(8-6-19)14-10-17-13(16)9-18-14/h1-4,9-10H,5-8H2,(H2,16,17)
InChIKeyTWWWFQVNORQICE-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.04
Rot. Bonds2

About 5-[4-(2-chlorophenyl)piperazin-1-yl]pyrazin-2-amine

5-[4-(2-chlorophenyl)piperazin-1-yl]pyrazin-2-amine (PubChem CID 80653011) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is 5-[4-(2-chlorophenyl)piperazin-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-(2-chlorophenyl)piperazin-1-yl]pyrazin-2-amine
PubChem CID80653011
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC Name5-[4-(2-chlorophenyl)piperazin-1-yl]pyrazin-2-amine
SMILESNc1cnc(N2CCN(c3ccccc3Cl)CC2)cn1
InChIInChI=1S/C14H16ClN5/c15-11-3-1-2-4-12(11)19-5-7-20(8-6-19)14-10-17-13(16)9-18-14/h1-4,9-10H,5-8H2,(H2,16,17)
InChIKeyTWWWFQVNORQICE-UHFFFAOYSA-N
XLogP2.04
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-chlorophenyl)piperazin-1-yl]pyrazin-2-amine?
The IUPAC name of 5-[4-(2-chlorophenyl)piperazin-1-yl]pyrazin-2-amine (CID 80653011) is 5-[4-(2-chlorophenyl)piperazin-1-yl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-(2-chlorophenyl)piperazin-1-yl]pyrazin-2-amine?
The canonical SMILES for 5-[4-(2-chlorophenyl)piperazin-1-yl]pyrazin-2-amine is Nc1cnc(N2CCN(c3ccccc3Cl)CC2)cn1.
What is the InChIKey of 5-[4-(2-chlorophenyl)piperazin-1-yl]pyrazin-2-amine?
The InChIKey is TWWWFQVNORQICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5/c15-11-3-1-2-4-12(11)19-5-7-20(8-6-19)14-10-17-13(16)9-18-14/h1-4,9-10H,5-8H2,(H2,16,17).
What are the key properties of 5-[4-(2-chlorophenyl)piperazin-1-yl]pyrazin-2-amine?
5-[4-(2-chlorophenyl)piperazin-1-yl]pyrazin-2-amine has a molecular weight of 289.77 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-chlorophenyl)piperazin-1-yl]pyrazin-2-amine is sourced from PubChem (CID 80653011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).