6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine

C14H16ClN5 — CID 78988842

IUPAC6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine
SMILESNc1cncc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C14H16ClN5/c15-11-2-1-3-12(8-11)19-4-6-20(7-5-19)14-10-17-9-13(16)18-14/h1-3,8-10H,4-7H2,(H2,16,18)
InChIKeyRPVCQJOKVIMTHX-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.04
Rot. Bonds2

About 6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine

6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine (PubChem CID 78988842) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is 6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine
PubChem CID78988842
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC Name6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine
SMILESNc1cncc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C14H16ClN5/c15-11-2-1-3-12(8-11)19-4-6-20(7-5-19)14-10-17-9-13(16)18-14/h1-3,8-10H,4-7H2,(H2,16,18)
InChIKeyRPVCQJOKVIMTHX-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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Related Compounds

4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2,3-dimethoxyphenyl)pyrazine
CID 6482826
1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine
CID 63960873
4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 79910450
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970369
6-(4-benzylpiperazin-1-yl)pyrazin-2-amine
CID 78988890
3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945819
4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
CID 80757578
6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133358244
6-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine
CID 3068567
1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine
CID 61256997
1-(3-chlorophenyl)azonane
CID 145391535

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine?
The IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine (CID 78988842) is 6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine.
What is the SMILES notation for 6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine?
The canonical SMILES for 6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine is Nc1cncc(N2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine?
The InChIKey is RPVCQJOKVIMTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5/c15-11-2-1-3-12(8-11)19-4-6-20(7-5-19)14-10-17-9-13(16)18-14/h1-3,8-10H,4-7H2,(H2,16,18).
What are the key properties of 6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine?
6-[4-(3-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 6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine is sourced from PubChem (CID 78988842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).