2-[6-[[(2R)-2-hydroxypropyl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol

C15H16F3N3O2 — CID 156865338

IUPAC2-[6-[[(2R)-2-hydroxypropyl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol
SMILESCc1cc(NC[C@@H](C)O)nnc1-c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C15H16F3N3O2/c1-8-5-13(19-7-9(2)22)20-21-14(8)11-4-3-10(6-12(11)23)15(16,17)18/h3-6,9,22-23H,7H2,1-2H3,(H,19,20)/t9-/m1/s1
InChIKeyKWBBJWHQLZZWBY-SECBINFHSA-N
MW327.31 g/mol
LogP2.97
Rot. Bonds4

About 2-[6-[[(2R)-2-hydroxypropyl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol

2-[6-[[(2R)-2-hydroxypropyl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol (PubChem CID 156865338) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-[6-[[(2R)-2-hydroxypropyl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[6-[[(2R)-2-hydroxypropyl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol
PubChem CID156865338
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name2-[6-[[(2R)-2-hydroxypropyl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol
SMILESCc1cc(NC[C@@H](C)O)nnc1-c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C15H16F3N3O2/c1-8-5-13(19-7-9(2)22)20-21-14(8)11-4-3-10(6-12(11)23)15(16,17)18/h3-6,9,22-23H,7H2,1-2H3,(H,19,20)/t9-/m1/s1
InChIKeyKWBBJWHQLZZWBY-SECBINFHSA-N
XLogP2.97
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[(1R)-5-(dimethylamino)-1-hydroxypentyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 178046000
2-[6-[(1R,2S)-1-hydroxy-2-methyl-5-(methylamino)pentyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 170213670
2-[6-[[(3R,6S)-6-(2-hydroxypropan-2-yl)piperidin-3-yl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 178140341
1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 66479358
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273
2-[6-[hydroxy(pyridin-2-yl)methyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 169066856
2-[6-[(2-hydroxy-2-methylpropyl)amino]-4-methylpyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
CID 155284808
2-[6-[5-(dimethylamino)pentyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol;ethane
CID 169189956
2-[6-[[(3S)-3-hydroxy-2-methylbutyl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
CID 163200926
2-[6-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol;hydrochloride
CID 171837886
2-[6-[[(3R)-1-(azetidin-3-ylmethyl)piperidin-3-yl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 171838046
3-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]amino]piperidin-1-yl]propanoic acid
CID 171838220

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(2R)-2-hydroxypropyl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[6-[[(2R)-2-hydroxypropyl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol (CID 156865338) is 2-[6-[[(2R)-2-hydroxypropyl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[6-[[(2R)-2-hydroxypropyl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[6-[[(2R)-2-hydroxypropyl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol is Cc1cc(NC[C@@H](C)O)nnc1-c1ccc(C(F)(F)F)cc1O.
What is the InChIKey of 2-[6-[[(2R)-2-hydroxypropyl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
The InChIKey is KWBBJWHQLZZWBY-SECBINFHSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-8-5-13(19-7-9(2)22)20-21-14(8)11-4-3-10(6-12(11)23)15(16,17)18/h3-6,9,22-23H,7H2,1-2H3,(H,19,20)/t9-/m1/s1.
What are the key properties of 2-[6-[[(2R)-2-hydroxypropyl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
2-[6-[[(2R)-2-hydroxypropyl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol has a molecular weight of 327.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[(2R)-2-hydroxypropyl]amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 156865338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).