3-[ethyl(pyridazin-3-yl)amino]propan-1-ol

C9H15N3O — CID 115658649

IUPAC3-[ethyl(pyridazin-3-yl)amino]propan-1-ol
SMILESCCN(CCCO)c1cccnn1
InChIInChI=1S/C9H15N3O/c1-2-12(7-4-8-13)9-5-3-6-10-11-9/h3,5-6,13H,2,4,7-8H2,1H3
InChIKeyOJXTXQTWNYEJMJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.69
Rot. Bonds5

About 3-[ethyl(pyridazin-3-yl)amino]propan-1-ol

3-[ethyl(pyridazin-3-yl)amino]propan-1-ol (PubChem CID 115658649) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-[ethyl(pyridazin-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[ethyl(pyridazin-3-yl)amino]propan-1-ol
PubChem CID115658649
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-[ethyl(pyridazin-3-yl)amino]propan-1-ol
SMILESCCN(CCCO)c1cccnn1
InChIInChI=1S/C9H15N3O/c1-2-12(7-4-8-13)9-5-3-6-10-11-9/h3,5-6,13H,2,4,7-8H2,1H3
InChIKeyOJXTXQTWNYEJMJ-UHFFFAOYSA-N
XLogP0.69
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(pyridazin-3-yl)amino]propan-1-ol?
The IUPAC name of 3-[ethyl(pyridazin-3-yl)amino]propan-1-ol (CID 115658649) is 3-[ethyl(pyridazin-3-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[ethyl(pyridazin-3-yl)amino]propan-1-ol?
The canonical SMILES for 3-[ethyl(pyridazin-3-yl)amino]propan-1-ol is CCN(CCCO)c1cccnn1.
What is the InChIKey of 3-[ethyl(pyridazin-3-yl)amino]propan-1-ol?
The InChIKey is OJXTXQTWNYEJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-12(7-4-8-13)9-5-3-6-10-11-9/h3,5-6,13H,2,4,7-8H2,1H3.
What are the key properties of 3-[ethyl(pyridazin-3-yl)amino]propan-1-ol?
3-[ethyl(pyridazin-3-yl)amino]propan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(pyridazin-3-yl)amino]propan-1-ol is sourced from PubChem (CID 115658649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).