2-[6-(1H-pyrrol-3-yl)imidazo[1,2-b]pyridazin-2-yl]ethanamine

C12H13N5 — CID 136932530

IUPAC2-[6-(1H-pyrrol-3-yl)imidazo[1,2-b]pyridazin-2-yl]ethanamine
SMILESNCCc1cn2nc(-c3cc[nH]c3)ccc2n1
InChIInChI=1S/C12H13N5/c13-5-3-10-8-17-12(15-10)2-1-11(16-17)9-4-6-14-7-9/h1-2,4,6-8,14H,3,5,13H2
InChIKeyBUSUJNKWGSYGOO-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.23
Rot. Bonds3

About 2-[6-(1H-pyrrol-3-yl)imidazo[1,2-b]pyridazin-2-yl]ethanamine

2-[6-(1H-pyrrol-3-yl)imidazo[1,2-b]pyridazin-2-yl]ethanamine (PubChem CID 136932530) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-[6-(1H-pyrrol-3-yl)imidazo[1,2-b]pyridazin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(1H-pyrrol-3-yl)imidazo[1,2-b]pyridazin-2-yl]ethanamine
PubChem CID136932530
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name2-[6-(1H-pyrrol-3-yl)imidazo[1,2-b]pyridazin-2-yl]ethanamine
SMILESNCCc1cn2nc(-c3cc[nH]c3)ccc2n1
InChIInChI=1S/C12H13N5/c13-5-3-10-8-17-12(15-10)2-1-11(16-17)9-4-6-14-7-9/h1-2,4,6-8,14H,3,5,13H2
InChIKeyBUSUJNKWGSYGOO-UHFFFAOYSA-N
XLogP1.23
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-pyrrol-3-yl)imidazo[1,2-b]pyridazin-2-yl]ethanamine?
The IUPAC name of 2-[6-(1H-pyrrol-3-yl)imidazo[1,2-b]pyridazin-2-yl]ethanamine (CID 136932530) is 2-[6-(1H-pyrrol-3-yl)imidazo[1,2-b]pyridazin-2-yl]ethanamine.
What is the SMILES notation for 2-[6-(1H-pyrrol-3-yl)imidazo[1,2-b]pyridazin-2-yl]ethanamine?
The canonical SMILES for 2-[6-(1H-pyrrol-3-yl)imidazo[1,2-b]pyridazin-2-yl]ethanamine is NCCc1cn2nc(-c3cc[nH]c3)ccc2n1.
What is the InChIKey of 2-[6-(1H-pyrrol-3-yl)imidazo[1,2-b]pyridazin-2-yl]ethanamine?
The InChIKey is BUSUJNKWGSYGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c13-5-3-10-8-17-12(15-10)2-1-11(16-17)9-4-6-14-7-9/h1-2,4,6-8,14H,3,5,13H2.
What are the key properties of 2-[6-(1H-pyrrol-3-yl)imidazo[1,2-b]pyridazin-2-yl]ethanamine?
2-[6-(1H-pyrrol-3-yl)imidazo[1,2-b]pyridazin-2-yl]ethanamine has a molecular weight of 227.27 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1H-pyrrol-3-yl)imidazo[1,2-b]pyridazin-2-yl]ethanamine is sourced from PubChem (CID 136932530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).