3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-pyridazin-6-one

C17H23N3O3 — CID 21246134

IUPAC3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-pyridazin-6-one
SMILESCC(C)(C)NCC(O)COc1ccccc1-c1ccc(=O)[nH]n1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)18-10-12(21)11-23-15-7-5-4-6-13(15)14-8-9-16(22)20-19-14/h4-9,12,18,21H,10-11H2,1-3H3,(H,20,22)
InChIKeyIQKFOORZLCWKHS-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.56
Rot. Bonds6

About 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-pyridazin-6-one

3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-pyridazin-6-one (PubChem CID 21246134) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-pyridazin-6-one
PubChem CID21246134
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-pyridazin-6-one
SMILESCC(C)(C)NCC(O)COc1ccccc1-c1ccc(=O)[nH]n1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)18-10-12(21)11-23-15-7-5-4-6-13(15)14-8-9-16(22)20-19-14/h4-9,12,18,21H,10-11H2,1-3H3,(H,20,22)
InChIKeyIQKFOORZLCWKHS-UHFFFAOYSA-N
XLogP1.56
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]anthracene-9,10-dione
CID 97356918
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide
CID 10424650
methyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]benzoate
CID 13040879
1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 2873516
N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(6-sulfanylidene-1H-pyridazin-3-yl)phenyl]butanamide
CID 21405179
1-(tert-butylamino)-3-(2-nitrophenoxy)propan-2-ol
CID 14689265
1-(tert-butylamino)-3-[(2-nitro-3-pyridinyl)oxy]propan-2-ol
CID 115475954
1-(tert-butylamino)-3-[2-(5-methyl-2-oxidopyridazin-2-ium-4-yl)phenoxy]propan-2-ol
CID 70393180
2-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile;hydrochloride
CID 76967522
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]ethyl nitrate
CID 13376596
1-[2-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
CID 1353740

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-pyridazin-6-one (CID 21246134) is 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-pyridazin-6-one is CC(C)(C)NCC(O)COc1ccccc1-c1ccc(=O)[nH]n1.
What is the InChIKey of 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-pyridazin-6-one?
The InChIKey is IQKFOORZLCWKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-17(2,3)18-10-12(21)11-23-15-7-5-4-6-13(15)14-8-9-16(22)20-19-14/h4-9,12,18,21H,10-11H2,1-3H3,(H,20,22).
What are the key properties of 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-pyridazin-6-one?
3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-pyridazin-6-one has a molecular weight of 317.39 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 21246134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).