2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol

C16H20N4O2 — CID 137029504

IUPAC2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol
SMILESC[C@@H]1CN(c2cc(-c3ccccc3O)nnc2N)C[C@@H](C)O1
InChIInChI=1S/C16H20N4O2/c1-10-8-20(9-11(2)22-10)14-7-13(18-19-16(14)17)12-5-3-4-6-15(12)21/h3-7,10-11,21H,8-9H2,1-2H3,(H2,17,19)/t10-,11-/m1/s1
InChIKeyLTQBMPHICDLNOB-GHMZBOCLSA-N
MW300.36 g/mol
LogP2.05
Rot. Bonds2

About 2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol

2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol (PubChem CID 137029504) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol
PubChem CID137029504
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol
SMILESC[C@@H]1CN(c2cc(-c3ccccc3O)nnc2N)C[C@@H](C)O1
InChIInChI=1S/C16H20N4O2/c1-10-8-20(9-11(2)22-10)14-7-13(18-19-16(14)17)12-5-3-4-6-15(12)21/h3-7,10-11,21H,8-9H2,1-2H3,(H2,17,19)/t10-,11-/m1/s1
InChIKeyLTQBMPHICDLNOB-GHMZBOCLSA-N
XLogP2.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R,6R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,6-dimethylpiperazin-1-yl]ethanone
CID 137029449
2-[6-amino-5-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenol
CID 152825660
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 147428670
N-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 170700230
2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 171638960
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone;ethane
CID 160949822
2-[6-amino-5-[8-(3-chloro-6-methyl-1,6-dihydropyridazin-5-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol
CID 167467133
(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]azecan-3-ol
CID 137291772
2-[6-amino-5-[8-(4-fluorophenyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol
CID 137029391
2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol
CID 137029494
2-[6-amino-5-[5-[(3E)-5-methyliminopenta-1,3-dien-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridazin-3-yl]phenol;ethane
CID 168901552
4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one
CID 137029448

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol (CID 137029504) is 2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol is C[C@@H]1CN(c2cc(-c3ccccc3O)nnc2N)C[C@@H](C)O1.
What is the InChIKey of 2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol?
The InChIKey is LTQBMPHICDLNOB-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-8-20(9-11(2)22-10)14-7-13(18-19-16(14)17)12-5-3-4-6-15(12)21/h3-7,10-11,21H,8-9H2,1-2H3,(H2,17,19)/t10-,11-/m1/s1.
What are the key properties of 2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol?
2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol has a molecular weight of 300.36 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 137029504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).