6-chloro-N-(3-imidazol-1-ylpropyl)pyridazin-3-amine

C10H12ClN5 — CID 28888027

IUPAC6-chloro-N-(3-imidazol-1-ylpropyl)pyridazin-3-amine
SMILESClc1ccc(NCCCn2ccnc2)nn1
InChIInChI=1S/C10H12ClN5/c11-9-2-3-10(15-14-9)13-4-1-6-16-7-5-12-8-16/h2-3,5,7-8H,1,4,6H2,(H,13,15)
InChIKeyRVSLFMWJEZTRNH-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.83
Rot. Bonds5

About 6-chloro-N-(3-imidazol-1-ylpropyl)pyridazin-3-amine

6-chloro-N-(3-imidazol-1-ylpropyl)pyridazin-3-amine (PubChem CID 28888027) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 6-chloro-N-(3-imidazol-1-ylpropyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(3-imidazol-1-ylpropyl)pyridazin-3-amine
PubChem CID28888027
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name6-chloro-N-(3-imidazol-1-ylpropyl)pyridazin-3-amine
SMILESClc1ccc(NCCCn2ccnc2)nn1
InChIInChI=1S/C10H12ClN5/c11-9-2-3-10(15-14-9)13-4-1-6-16-7-5-12-8-16/h2-3,5,7-8H,1,4,6H2,(H,13,15)
InChIKeyRVSLFMWJEZTRNH-UHFFFAOYSA-N
XLogP1.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-imidazol-1-ylpropyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(3-imidazol-1-ylpropyl)pyridazin-3-amine (CID 28888027) is 6-chloro-N-(3-imidazol-1-ylpropyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(3-imidazol-1-ylpropyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(3-imidazol-1-ylpropyl)pyridazin-3-amine is Clc1ccc(NCCCn2ccnc2)nn1.
What is the InChIKey of 6-chloro-N-(3-imidazol-1-ylpropyl)pyridazin-3-amine?
The InChIKey is RVSLFMWJEZTRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c11-9-2-3-10(15-14-9)13-4-1-6-16-7-5-12-8-16/h2-3,5,7-8H,1,4,6H2,(H,13,15).
What are the key properties of 6-chloro-N-(3-imidazol-1-ylpropyl)pyridazin-3-amine?
6-chloro-N-(3-imidazol-1-ylpropyl)pyridazin-3-amine has a molecular weight of 237.69 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-imidazol-1-ylpropyl)pyridazin-3-amine is sourced from PubChem (CID 28888027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).