2-(tert-butylamino)-2-(5-methylpyridazin-3-yl)ethanol

C11H19N3O — CID 175223091

IUPAC2-(tert-butylamino)-2-(5-methylpyridazin-3-yl)ethanol
SMILESCc1cnnc(C(CO)NC(C)(C)C)c1
InChIInChI=1S/C11H19N3O/c1-8-5-9(14-12-6-8)10(7-15)13-11(2,3)4/h5-6,10,13,15H,7H2,1-4H3
InChIKeyXBCBEKUUVPQJHB-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.21
Rot. Bonds3

About 2-(tert-butylamino)-2-(5-methylpyridazin-3-yl)ethanol

2-(tert-butylamino)-2-(5-methylpyridazin-3-yl)ethanol (PubChem CID 175223091) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(tert-butylamino)-2-(5-methylpyridazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-2-(5-methylpyridazin-3-yl)ethanol
PubChem CID175223091
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(tert-butylamino)-2-(5-methylpyridazin-3-yl)ethanol
SMILESCc1cnnc(C(CO)NC(C)(C)C)c1
InChIInChI=1S/C11H19N3O/c1-8-5-9(14-12-6-8)10(7-15)13-11(2,3)4/h5-6,10,13,15H,7H2,1-4H3
InChIKeyXBCBEKUUVPQJHB-UHFFFAOYSA-N
XLogP1.21
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-2-(5-methylpyridazin-3-yl)ethanol?
The IUPAC name of 2-(tert-butylamino)-2-(5-methylpyridazin-3-yl)ethanol (CID 175223091) is 2-(tert-butylamino)-2-(5-methylpyridazin-3-yl)ethanol.
What is the SMILES notation for 2-(tert-butylamino)-2-(5-methylpyridazin-3-yl)ethanol?
The canonical SMILES for 2-(tert-butylamino)-2-(5-methylpyridazin-3-yl)ethanol is Cc1cnnc(C(CO)NC(C)(C)C)c1.
What is the InChIKey of 2-(tert-butylamino)-2-(5-methylpyridazin-3-yl)ethanol?
The InChIKey is XBCBEKUUVPQJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-5-9(14-12-6-8)10(7-15)13-11(2,3)4/h5-6,10,13,15H,7H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-2-(5-methylpyridazin-3-yl)ethanol?
2-(tert-butylamino)-2-(5-methylpyridazin-3-yl)ethanol has a molecular weight of 209.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-2-(5-methylpyridazin-3-yl)ethanol is sourced from PubChem (CID 175223091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).