[6-[ethyl(2-methylprop-2-enyl)amino]pyridazin-3-yl]methanol

C11H17N3O — CID 61255807

IUPAC[6-[ethyl(2-methylprop-2-enyl)amino]pyridazin-3-yl]methanol
SMILESC=C(C)CN(CC)c1ccc(CO)nn1
InChIInChI=1S/C11H17N3O/c1-4-14(7-9(2)3)11-6-5-10(8-15)12-13-11/h5-6,15H,2,4,7-8H2,1,3H3
InChIKeyBKOAOBOMHDVUOV-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.37
Rot. Bonds5

About [6-[ethyl(2-methylprop-2-enyl)amino]pyridazin-3-yl]methanol

[6-[ethyl(2-methylprop-2-enyl)amino]pyridazin-3-yl]methanol (PubChem CID 61255807) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is [6-[ethyl(2-methylprop-2-enyl)amino]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-[ethyl(2-methylprop-2-enyl)amino]pyridazin-3-yl]methanol
PubChem CID61255807
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name[6-[ethyl(2-methylprop-2-enyl)amino]pyridazin-3-yl]methanol
SMILESC=C(C)CN(CC)c1ccc(CO)nn1
InChIInChI=1S/C11H17N3O/c1-4-14(7-9(2)3)11-6-5-10(8-15)12-13-11/h5-6,15H,2,4,7-8H2,1,3H3
InChIKeyBKOAOBOMHDVUOV-UHFFFAOYSA-N
XLogP1.37
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-[ethyl(2-methylprop-2-enyl)amino]pyridazin-3-yl]methanol?
The IUPAC name of [6-[ethyl(2-methylprop-2-enyl)amino]pyridazin-3-yl]methanol (CID 61255807) is [6-[ethyl(2-methylprop-2-enyl)amino]pyridazin-3-yl]methanol.
What is the SMILES notation for [6-[ethyl(2-methylprop-2-enyl)amino]pyridazin-3-yl]methanol?
The canonical SMILES for [6-[ethyl(2-methylprop-2-enyl)amino]pyridazin-3-yl]methanol is C=C(C)CN(CC)c1ccc(CO)nn1.
What is the InChIKey of [6-[ethyl(2-methylprop-2-enyl)amino]pyridazin-3-yl]methanol?
The InChIKey is BKOAOBOMHDVUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-14(7-9(2)3)11-6-5-10(8-15)12-13-11/h5-6,15H,2,4,7-8H2,1,3H3.
What are the key properties of [6-[ethyl(2-methylprop-2-enyl)amino]pyridazin-3-yl]methanol?
[6-[ethyl(2-methylprop-2-enyl)amino]pyridazin-3-yl]methanol has a molecular weight of 207.28 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[ethyl(2-methylprop-2-enyl)amino]pyridazin-3-yl]methanol is sourced from PubChem (CID 61255807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).