N-[3-(2-chloroethoxy)propyl]pyridazin-3-amine

C9H14ClN3O — CID 106306361

IUPACN-[3-(2-chloroethoxy)propyl]pyridazin-3-amine
SMILESClCCOCCCNc1cccnn1
InChIInChI=1S/C9H14ClN3O/c10-4-8-14-7-2-5-11-9-3-1-6-12-13-9/h1,3,6H,2,4-5,7-8H2,(H,11,13)
InChIKeyVXEPULMPPRGPGB-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.53
Rot. Bonds7

About N-[3-(2-chloroethoxy)propyl]pyridazin-3-amine

N-[3-(2-chloroethoxy)propyl]pyridazin-3-amine (PubChem CID 106306361) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is N-[3-(2-chloroethoxy)propyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[3-(2-chloroethoxy)propyl]pyridazin-3-amine
PubChem CID106306361
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC NameN-[3-(2-chloroethoxy)propyl]pyridazin-3-amine
SMILESClCCOCCCNc1cccnn1
InChIInChI=1S/C9H14ClN3O/c10-4-8-14-7-2-5-11-9-3-1-6-12-13-9/h1,3,6H,2,4-5,7-8H2,(H,11,13)
InChIKeyVXEPULMPPRGPGB-UHFFFAOYSA-N
XLogP1.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloroethoxy)propyl]pyridazin-3-amine?
The IUPAC name of N-[3-(2-chloroethoxy)propyl]pyridazin-3-amine (CID 106306361) is N-[3-(2-chloroethoxy)propyl]pyridazin-3-amine.
What is the SMILES notation for N-[3-(2-chloroethoxy)propyl]pyridazin-3-amine?
The canonical SMILES for N-[3-(2-chloroethoxy)propyl]pyridazin-3-amine is ClCCOCCCNc1cccnn1.
What is the InChIKey of N-[3-(2-chloroethoxy)propyl]pyridazin-3-amine?
The InChIKey is VXEPULMPPRGPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c10-4-8-14-7-2-5-11-9-3-1-6-12-13-9/h1,3,6H,2,4-5,7-8H2,(H,11,13).
What are the key properties of N-[3-(2-chloroethoxy)propyl]pyridazin-3-amine?
N-[3-(2-chloroethoxy)propyl]pyridazin-3-amine has a molecular weight of 215.68 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloroethoxy)propyl]pyridazin-3-amine is sourced from PubChem (CID 106306361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).