[6-(4-bromopyrazol-1-yl)pyridazin-3-yl]methanamine

C8H8BrN5 — CID 62295440

IUPAC[6-(4-bromopyrazol-1-yl)pyridazin-3-yl]methanamine
SMILESNCc1ccc(-n2cc(Br)cn2)nn1
InChIInChI=1S/C8H8BrN5/c9-6-4-11-14(5-6)8-2-1-7(3-10)12-13-8/h1-2,4-5H,3,10H2
InChIKeyDOOJPNKWWHYGOD-UHFFFAOYSA-N
MW254.09 g/mol
LogP0.88
Rot. Bonds2

About [6-(4-bromopyrazol-1-yl)pyridazin-3-yl]methanamine

[6-(4-bromopyrazol-1-yl)pyridazin-3-yl]methanamine (PubChem CID 62295440) has the molecular formula C8H8BrN5 and a molecular weight of 254.09 g/mol. Its IUPAC name is [6-(4-bromopyrazol-1-yl)pyridazin-3-yl]methanamine.

Molecular Properties

Compound Name[6-(4-bromopyrazol-1-yl)pyridazin-3-yl]methanamine
PubChem CID62295440
Molecular FormulaC8H8BrN5
Molecular Weight254.09 g/mol
Exact Mass253.00
IUPAC Name[6-(4-bromopyrazol-1-yl)pyridazin-3-yl]methanamine
SMILESNCc1ccc(-n2cc(Br)cn2)nn1
InChIInChI=1S/C8H8BrN5/c9-6-4-11-14(5-6)8-2-1-7(3-10)12-13-8/h1-2,4-5H,3,10H2
InChIKeyDOOJPNKWWHYGOD-UHFFFAOYSA-N
XLogP0.88
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(4-bromopyrazol-1-yl)pyridazin-3-yl]methanamine?
The IUPAC name of [6-(4-bromopyrazol-1-yl)pyridazin-3-yl]methanamine (CID 62295440) is [6-(4-bromopyrazol-1-yl)pyridazin-3-yl]methanamine.
What is the SMILES notation for [6-(4-bromopyrazol-1-yl)pyridazin-3-yl]methanamine?
The canonical SMILES for [6-(4-bromopyrazol-1-yl)pyridazin-3-yl]methanamine is NCc1ccc(-n2cc(Br)cn2)nn1.
What is the InChIKey of [6-(4-bromopyrazol-1-yl)pyridazin-3-yl]methanamine?
The InChIKey is DOOJPNKWWHYGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5/c9-6-4-11-14(5-6)8-2-1-7(3-10)12-13-8/h1-2,4-5H,3,10H2.
What are the key properties of [6-(4-bromopyrazol-1-yl)pyridazin-3-yl]methanamine?
[6-(4-bromopyrazol-1-yl)pyridazin-3-yl]methanamine has a molecular weight of 254.09 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromopyrazol-1-yl)pyridazin-3-yl]methanamine is sourced from PubChem (CID 62295440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).