5-(dipropylamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenol

C18H21F3N4O — CID 135839682

IUPAC5-(dipropylamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenol
SMILESCCCN(CCC)c1ccc(/N=N/c2ccc(C(F)(F)F)cn2)c(O)c1
InChIInChI=1S/C18H21F3N4O/c1-3-9-25(10-4-2)14-6-7-15(16(26)11-14)23-24-17-8-5-13(12-22-17)18(19,20)21/h5-8,11-12,26H,3-4,9-10H2,1-2H3/b24-23+
InChIKeyDTNMODDXHXBUEZ-WCWDXBQESA-N
MW366.39 g/mol
LogP5.85
Rot. Bonds7

About 5-(dipropylamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenol

5-(dipropylamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenol (PubChem CID 135839682) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is 5-(dipropylamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenol.

Molecular Properties

Compound Name5-(dipropylamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenol
PubChem CID135839682
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name5-(dipropylamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenol
SMILESCCCN(CCC)c1ccc(/N=N/c2ccc(C(F)(F)F)cn2)c(O)c1
InChIInChI=1S/C18H21F3N4O/c1-3-9-25(10-4-2)14-6-7-15(16(26)11-14)23-24-17-8-5-13(12-22-17)18(19,20)21/h5-8,11-12,26H,3-4,9-10H2,1-2H3/b24-23+
InChIKeyDTNMODDXHXBUEZ-WCWDXBQESA-N
XLogP5.85
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.39
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-(5-Bromo-2-pyridylazo)-5-(diethylamino)phenol
CID 339622
2-(2-Pyridylazo)-5-dimethylaminophenol
CID 135741596
ERGi-USU-6 (mesylate)
CID 163198555
Sodium 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenolate
CID 164609085
(Z)-but-2-enedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol
CID 164610568
Butanedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol
CID 164614947
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;sulfuric acid
CID 164615922
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;oxalic acid
CID 164616247
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrochloride
CID 164616673
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;nitric acid
CID 164617591
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-methylbenzenesulfonic acid
CID 164621903
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethane-1,2-disulfonic acid
CID 164623886

Frequently Asked Questions

What is the IUPAC name of 5-(dipropylamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenol?
The IUPAC name of 5-(dipropylamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenol (CID 135839682) is 5-(dipropylamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenol.
What is the SMILES notation for 5-(dipropylamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenol?
The canonical SMILES for 5-(dipropylamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenol is CCCN(CCC)c1ccc(/N=N/c2ccc(C(F)(F)F)cn2)c(O)c1.
What is the InChIKey of 5-(dipropylamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenol?
The InChIKey is DTNMODDXHXBUEZ-WCWDXBQESA-N. The full InChI is InChI=1S/C18H21F3N4O/c1-3-9-25(10-4-2)14-6-7-15(16(26)11-14)23-24-17-8-5-13(12-22-17)18(19,20)21/h5-8,11-12,26H,3-4,9-10H2,1-2H3/b24-23+.
What are the key properties of 5-(dipropylamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenol?
5-(dipropylamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenol has a molecular weight of 366.39 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dipropylamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenol is sourced from PubChem (CID 135839682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).