2-[ethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol

C12H17N5O — CID 71862619

IUPAC2-[ethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol
SMILESCCN(CCO)c1ccc(-n2ccc(C)n2)nn1
InChIInChI=1S/C12H17N5O/c1-3-16(8-9-18)11-4-5-12(14-13-11)17-7-6-10(2)15-17/h4-7,18H,3,8-9H2,1-2H3
InChIKeyURGHGJWLVLWYNN-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.79
Rot. Bonds5

About 2-[ethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol

2-[ethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol (PubChem CID 71862619) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[ethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol
PubChem CID71862619
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[ethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol
SMILESCCN(CCO)c1ccc(-n2ccc(C)n2)nn1
InChIInChI=1S/C12H17N5O/c1-3-16(8-9-18)11-4-5-12(14-13-11)17-7-6-10(2)15-17/h4-7,18H,3,8-9H2,1-2H3
InChIKeyURGHGJWLVLWYNN-UHFFFAOYSA-N
XLogP0.79
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol?
The IUPAC name of 2-[ethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol (CID 71862619) is 2-[ethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol is CCN(CCO)c1ccc(-n2ccc(C)n2)nn1.
What is the InChIKey of 2-[ethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol?
The InChIKey is URGHGJWLVLWYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-16(8-9-18)11-4-5-12(14-13-11)17-7-6-10(2)15-17/h4-7,18H,3,8-9H2,1-2H3.
What are the key properties of 2-[ethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol?
2-[ethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol has a molecular weight of 247.30 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol is sourced from PubChem (CID 71862619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).