3-nitro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine

C17H15N7O2 — CID 133420153

IUPAC3-nitro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCC(Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1-n1cccn1
InChIInChI=1S/C17H15N7O2/c1-12(13-5-2-3-6-14(13)22-10-4-9-19-22)20-15-7-8-16-18-11-17(24(25)26)23(16)21-15/h2-12H,1H3,(H,20,21)
InChIKeyVWPYWTYLZHIEIY-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.00
Rot. Bonds5

About 3-nitro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine

3-nitro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 133420153) has the molecular formula C17H15N7O2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 3-nitro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-nitro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID133420153
Molecular FormulaC17H15N7O2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name3-nitro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCC(Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1-n1cccn1
InChIInChI=1S/C17H15N7O2/c1-12(13-5-2-3-6-14(13)22-10-4-9-19-22)20-15-7-8-16-18-11-17(24(25)26)23(16)21-15/h2-12H,1H3,(H,20,21)
InChIKeyVWPYWTYLZHIEIY-UHFFFAOYSA-N
XLogP3.00
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-nitro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine (CID 133420153) is 3-nitro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-nitro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-nitro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine is CC(Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1-n1cccn1.
What is the InChIKey of 3-nitro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is VWPYWTYLZHIEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2/c1-12(13-5-2-3-6-14(13)22-10-4-9-19-22)20-15-7-8-16-18-11-17(24(25)26)23(16)21-15/h2-12H,1H3,(H,20,21).
What are the key properties of 3-nitro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine?
3-nitro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 349.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 133420153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).