tert-butyl N-[6-(1-hydroxyethyl)pyridazin-3-yl]carbamate

C11H17N3O3 — CID 170406427

IUPACtert-butyl N-[6-(1-hydroxyethyl)pyridazin-3-yl]carbamate
SMILESCC(O)c1ccc(NC(=O)OC(C)(C)C)nn1
InChIInChI=1S/C11H17N3O3/c1-7(15)8-5-6-9(14-13-8)12-10(16)17-11(2,3)4/h5-7,15H,1-4H3,(H,12,14,16)
InChIKeyCXWHOXSURAPBFS-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.88
Rot. Bonds2

About tert-butyl N-[6-(1-hydroxyethyl)pyridazin-3-yl]carbamate

tert-butyl N-[6-(1-hydroxyethyl)pyridazin-3-yl]carbamate (PubChem CID 170406427) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is tert-butyl N-[6-(1-hydroxyethyl)pyridazin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(1-hydroxyethyl)pyridazin-3-yl]carbamate
PubChem CID170406427
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Nametert-butyl N-[6-(1-hydroxyethyl)pyridazin-3-yl]carbamate
SMILESCC(O)c1ccc(NC(=O)OC(C)(C)C)nn1
InChIInChI=1S/C11H17N3O3/c1-7(15)8-5-6-9(14-13-8)12-10(16)17-11(2,3)4/h5-7,15H,1-4H3,(H,12,14,16)
InChIKeyCXWHOXSURAPBFS-UHFFFAOYSA-N
XLogP1.88
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(1-hydroxyethyl)pyridazin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[6-(1-hydroxyethyl)pyridazin-3-yl]carbamate (CID 170406427) is tert-butyl N-[6-(1-hydroxyethyl)pyridazin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(1-hydroxyethyl)pyridazin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-(1-hydroxyethyl)pyridazin-3-yl]carbamate is CC(O)c1ccc(NC(=O)OC(C)(C)C)nn1.
What is the InChIKey of tert-butyl N-[6-(1-hydroxyethyl)pyridazin-3-yl]carbamate?
The InChIKey is CXWHOXSURAPBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(15)8-5-6-9(14-13-8)12-10(16)17-11(2,3)4/h5-7,15H,1-4H3,(H,12,14,16).
What are the key properties of tert-butyl N-[6-(1-hydroxyethyl)pyridazin-3-yl]carbamate?
tert-butyl N-[6-(1-hydroxyethyl)pyridazin-3-yl]carbamate has a molecular weight of 239.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(1-hydroxyethyl)pyridazin-3-yl]carbamate is sourced from PubChem (CID 170406427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).