4-bromo-5-piperazin-1-yl-1H-pyrrol-2-amine

C8H13BrN4 — CID 98770152

IUPAC4-bromo-5-piperazin-1-yl-1H-pyrrol-2-amine
SMILESNc1cc(Br)c(N2CCNCC2)[nH]1
InChIInChI=1S/C8H13BrN4/c9-6-5-7(10)12-8(6)13-3-1-11-2-4-13/h5,11-12H,1-4,10H2
InChIKeyIDORRIFVHKTYEK-UHFFFAOYSA-N
MW245.12 g/mol
LogP0.77
Rot. Bonds1

About 4-bromo-5-piperazin-1-yl-1H-pyrrol-2-amine

4-bromo-5-piperazin-1-yl-1H-pyrrol-2-amine (PubChem CID 98770152) has the molecular formula C8H13BrN4 and a molecular weight of 245.12 g/mol. Its IUPAC name is 4-bromo-5-piperazin-1-yl-1H-pyrrol-2-amine.

Molecular Properties

Compound Name4-bromo-5-piperazin-1-yl-1H-pyrrol-2-amine
PubChem CID98770152
Molecular FormulaC8H13BrN4
Molecular Weight245.12 g/mol
Exact Mass244.03
IUPAC Name4-bromo-5-piperazin-1-yl-1H-pyrrol-2-amine
SMILESNc1cc(Br)c(N2CCNCC2)[nH]1
InChIInChI=1S/C8H13BrN4/c9-6-5-7(10)12-8(6)13-3-1-11-2-4-13/h5,11-12H,1-4,10H2
InChIKeyIDORRIFVHKTYEK-UHFFFAOYSA-N
XLogP0.77
TPSA57.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-bromo-5-piperazin-1-yl-1H-pyrrol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-piperazin-1-yl-1H-pyrrol-2-amine?
The IUPAC name of 4-bromo-5-piperazin-1-yl-1H-pyrrol-2-amine (CID 98770152) is 4-bromo-5-piperazin-1-yl-1H-pyrrol-2-amine.
What is the SMILES notation for 4-bromo-5-piperazin-1-yl-1H-pyrrol-2-amine?
The canonical SMILES for 4-bromo-5-piperazin-1-yl-1H-pyrrol-2-amine is Nc1cc(Br)c(N2CCNCC2)[nH]1.
What is the InChIKey of 4-bromo-5-piperazin-1-yl-1H-pyrrol-2-amine?
The InChIKey is IDORRIFVHKTYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4/c9-6-5-7(10)12-8(6)13-3-1-11-2-4-13/h5,11-12H,1-4,10H2.
What are the key properties of 4-bromo-5-piperazin-1-yl-1H-pyrrol-2-amine?
4-bromo-5-piperazin-1-yl-1H-pyrrol-2-amine has a molecular weight of 245.12 g/mol, XLogP of 0.77, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-piperazin-1-yl-1H-pyrrol-2-amine is sourced from PubChem (CID 98770152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).