tert-butyl N-[6-(2-hydroxypropan-2-yl)-5-methylpyridazin-3-yl]carbamate

C13H21N3O3 — CID 177159286

IUPACtert-butyl N-[6-(2-hydroxypropan-2-yl)-5-methylpyridazin-3-yl]carbamate
SMILESCc1cc(NC(=O)OC(C)(C)C)nnc1C(C)(C)O
InChIInChI=1S/C13H21N3O3/c1-8-7-9(14-11(17)19-12(2,3)4)15-16-10(8)13(5,6)18/h7,18H,1-6H3,(H,14,15,17)
InChIKeyIQDOQCHESHEUDY-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.36
Rot. Bonds2

About tert-butyl N-[6-(2-hydroxypropan-2-yl)-5-methylpyridazin-3-yl]carbamate

tert-butyl N-[6-(2-hydroxypropan-2-yl)-5-methylpyridazin-3-yl]carbamate (PubChem CID 177159286) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is tert-butyl N-[6-(2-hydroxypropan-2-yl)-5-methylpyridazin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(2-hydroxypropan-2-yl)-5-methylpyridazin-3-yl]carbamate
PubChem CID177159286
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Nametert-butyl N-[6-(2-hydroxypropan-2-yl)-5-methylpyridazin-3-yl]carbamate
SMILESCc1cc(NC(=O)OC(C)(C)C)nnc1C(C)(C)O
InChIInChI=1S/C13H21N3O3/c1-8-7-9(14-11(17)19-12(2,3)4)15-16-10(8)13(5,6)18/h7,18H,1-6H3,(H,14,15,17)
InChIKeyIQDOQCHESHEUDY-UHFFFAOYSA-N
XLogP2.36
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.36
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-(2-hydroxypropan-2-yl)-5-methylpyridazin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[6-(2-hydroxypropan-2-yl)-5-methylpyridazin-3-yl]carbamate (CID 177159286) is tert-butyl N-[6-(2-hydroxypropan-2-yl)-5-methylpyridazin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(2-hydroxypropan-2-yl)-5-methylpyridazin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-(2-hydroxypropan-2-yl)-5-methylpyridazin-3-yl]carbamate is Cc1cc(NC(=O)OC(C)(C)C)nnc1C(C)(C)O.
What is the InChIKey of tert-butyl N-[6-(2-hydroxypropan-2-yl)-5-methylpyridazin-3-yl]carbamate?
The InChIKey is IQDOQCHESHEUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8-7-9(14-11(17)19-12(2,3)4)15-16-10(8)13(5,6)18/h7,18H,1-6H3,(H,14,15,17).
What are the key properties of tert-butyl N-[6-(2-hydroxypropan-2-yl)-5-methylpyridazin-3-yl]carbamate?
tert-butyl N-[6-(2-hydroxypropan-2-yl)-5-methylpyridazin-3-yl]carbamate has a molecular weight of 267.33 g/mol, XLogP of 2.36, 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-(2-hydroxypropan-2-yl)-5-methylpyridazin-3-yl]carbamate is sourced from PubChem (CID 177159286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).