5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine

C14H16BrN5 — CID 16740447

IUPAC5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine
SMILESNc1ncc(Br)nc1N1CCNC(c2ccccc2)C1
InChIInChI=1S/C14H16BrN5/c15-12-8-18-13(16)14(19-12)20-7-6-17-11(9-20)10-4-2-1-3-5-10/h1-5,8,11,17H,6-7,9H2,(H2,16,18)
InChIKeyIQNZGGJWXBMSKX-UHFFFAOYSA-N
MW334.22 g/mol
LogP1.97
Rot. Bonds2

About 5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine

5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine (PubChem CID 16740447) has the molecular formula C14H16BrN5 and a molecular weight of 334.22 g/mol. Its IUPAC name is 5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine
PubChem CID16740447
Molecular FormulaC14H16BrN5
Molecular Weight334.22 g/mol
Exact Mass333.06
IUPAC Name5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine
SMILESNc1ncc(Br)nc1N1CCNC(c2ccccc2)C1
InChIInChI=1S/C14H16BrN5/c15-12-8-18-13(16)14(19-12)20-7-6-17-11(9-20)10-4-2-1-3-5-10/h1-5,8,11,17H,6-7,9H2,(H2,16,18)
InChIKeyIQNZGGJWXBMSKX-UHFFFAOYSA-N
XLogP1.97
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine?
The IUPAC name of 5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine (CID 16740447) is 5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine.
What is the SMILES notation for 5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine?
The canonical SMILES for 5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine is Nc1ncc(Br)nc1N1CCNC(c2ccccc2)C1.
What is the InChIKey of 5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine?
The InChIKey is IQNZGGJWXBMSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5/c15-12-8-18-13(16)14(19-12)20-7-6-17-11(9-20)10-4-2-1-3-5-10/h1-5,8,11,17H,6-7,9H2,(H2,16,18).
What are the key properties of 5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine?
5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine has a molecular weight of 334.22 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine is sourced from PubChem (CID 16740447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).