N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine

C15H19N3O — CID 648956

IUPACN-(3-ethoxypropyl)-6-phenylpyridazin-3-amine
SMILESCCOCCCNc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C15H19N3O/c1-2-19-12-6-11-16-15-10-9-14(17-18-15)13-7-4-3-5-8-13/h3-5,7-10H,2,6,11-12H2,1H3,(H,16,18)
InChIKeyICOUCLBABPQCFU-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.98
Rot. Bonds7

About N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine

N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine (PubChem CID 648956) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-6-phenylpyridazin-3-amine
PubChem CID648956
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(3-ethoxypropyl)-6-phenylpyridazin-3-amine
SMILESCCOCCCNc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C15H19N3O/c1-2-19-12-6-11-16-15-10-9-14(17-18-15)13-7-4-3-5-8-13/h3-5,7-10H,2,6,11-12H2,1H3,(H,16,18)
InChIKeyICOUCLBABPQCFU-UHFFFAOYSA-N
XLogP2.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine?
The IUPAC name of N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine (CID 648956) is N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine?
The canonical SMILES for N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine is CCOCCCNc1ccc(-c2ccccc2)nn1.
What is the InChIKey of N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine?
The InChIKey is ICOUCLBABPQCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-19-12-6-11-16-15-10-9-14(17-18-15)13-7-4-3-5-8-13/h3-5,7-10H,2,6,11-12H2,1H3,(H,16,18).
What are the key properties of N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine?
N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine has a molecular weight of 257.34 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-6-phenylpyridazin-3-amine is sourced from PubChem (CID 648956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).