3-nitro-N-[3-(oxolan-3-yloxy)propyl]imidazo[1,2-b]pyridazin-6-amine

C13H17N5O4 — CID 133419648

IUPAC3-nitro-N-[3-(oxolan-3-yloxy)propyl]imidazo[1,2-b]pyridazin-6-amine
SMILESO=[N+]([O-])c1cnc2ccc(NCCCOC3CCOC3)nn12
InChIInChI=1S/C13H17N5O4/c19-18(20)13-8-15-12-3-2-11(16-17(12)13)14-5-1-6-22-10-4-7-21-9-10/h2-3,8,10H,1,4-7,9H2,(H,14,16)
InChIKeyHSVYACHVPSILDR-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.25
Rot. Bonds7

About 3-nitro-N-[3-(oxolan-3-yloxy)propyl]imidazo[1,2-b]pyridazin-6-amine

3-nitro-N-[3-(oxolan-3-yloxy)propyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 133419648) has the molecular formula C13H17N5O4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 3-nitro-N-[3-(oxolan-3-yloxy)propyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-nitro-N-[3-(oxolan-3-yloxy)propyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID133419648
Molecular FormulaC13H17N5O4
Molecular Weight307.31 g/mol
Exact Mass307.13
IUPAC Name3-nitro-N-[3-(oxolan-3-yloxy)propyl]imidazo[1,2-b]pyridazin-6-amine
SMILESO=[N+]([O-])c1cnc2ccc(NCCCOC3CCOC3)nn12
InChIInChI=1S/C13H17N5O4/c19-18(20)13-8-15-12-3-2-11(16-17(12)13)14-5-1-6-22-10-4-7-21-9-10/h2-3,8,10H,1,4-7,9H2,(H,14,16)
InChIKeyHSVYACHVPSILDR-UHFFFAOYSA-N
XLogP1.25
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-(oxolan-3-yloxy)propyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-nitro-N-[3-(oxolan-3-yloxy)propyl]imidazo[1,2-b]pyridazin-6-amine (CID 133419648) is 3-nitro-N-[3-(oxolan-3-yloxy)propyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-nitro-N-[3-(oxolan-3-yloxy)propyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-nitro-N-[3-(oxolan-3-yloxy)propyl]imidazo[1,2-b]pyridazin-6-amine is O=[N+]([O-])c1cnc2ccc(NCCCOC3CCOC3)nn12.
What is the InChIKey of 3-nitro-N-[3-(oxolan-3-yloxy)propyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is HSVYACHVPSILDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O4/c19-18(20)13-8-15-12-3-2-11(16-17(12)13)14-5-1-6-22-10-4-7-21-9-10/h2-3,8,10H,1,4-7,9H2,(H,14,16).
What are the key properties of 3-nitro-N-[3-(oxolan-3-yloxy)propyl]imidazo[1,2-b]pyridazin-6-amine?
3-nitro-N-[3-(oxolan-3-yloxy)propyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 307.31 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[3-(oxolan-3-yloxy)propyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 133419648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).