2-[N-ethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]anilino]ethanol

C18H20N6O — CID 136678232

IUPAC2-[N-ethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]anilino]ethanol
SMILESCCN(CCO)c1ccc(/N=N/c2n[nH]c(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H20N6O/c1-2-24(12-13-25)16-10-8-15(9-11-16)20-22-18-19-17(21-23-18)14-6-4-3-5-7-14/h3-11,25H,2,12-13H2,1H3,(H,19,21,23)/b22-20+
InChIKeyDNGZKQGDGMZMLE-LSDHQDQOSA-N
MW336.40 g/mol
LogP3.71
Rot. Bonds7

About 2-[N-ethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]anilino]ethanol

2-[N-ethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]anilino]ethanol (PubChem CID 136678232) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[N-ethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]anilino]ethanol
PubChem CID136678232
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-[N-ethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]anilino]ethanol
SMILESCCN(CCO)c1ccc(/N=N/c2n[nH]c(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H20N6O/c1-2-24(12-13-25)16-10-8-15(9-11-16)20-22-18-19-17(21-23-18)14-6-4-3-5-7-14/h3-11,25H,2,12-13H2,1H3,(H,19,21,23)/b22-20+
InChIKeyDNGZKQGDGMZMLE-LSDHQDQOSA-N
XLogP3.71
TPSA89.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)diazenyl]aniline
CID 136678230
2-[N-ethyl-4-[[4-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]sulfanylphenyl]diazenyl]anilino]ethanol
CID 102049909
(N-ethyl-4-phenyldiazenylanilino)methanol
CID 59882366
2-[N-ethyl-4-[(6-isocyano-3-pyridinyl)diazenyl]anilino]ethanol
CID 58988592
4-[3-[3-[5-[4-(diethylamino)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]-N,N-diethylaniline
CID 118529717
2-[N-ethyl-4-[[4-(2-methoxyethoxy)phenyl]diazenyl]anilino]ethanol
CID 21022593
ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate
CID 71344599
2-[N-ethyl-4-[[4-[2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]sulfanyl-3,3,4,4-tetrafluorocyclobuten-1-yl]sulfanylphenyl]diazenyl]anilino]ethanol
CID 15507534
2-[4-[[8-(diethylamino)-10-phenyl-5,10a-dihydro-4aH-phenazin-2-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol
CID 129305982
2-[N-ethyl-4-[(4-nitronaphthalen-1-yl)diazenyl]anilino]ethanol
CID 59814976
N-(2-diphenylphosphanylethyl)-N-ethyl-4-phenyldiazenylaniline
CID 102500978
2-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 133370528

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]anilino]ethanol?
The IUPAC name of 2-[N-ethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]anilino]ethanol (CID 136678232) is 2-[N-ethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]anilino]ethanol is CCN(CCO)c1ccc(/N=N/c2n[nH]c(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[N-ethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]anilino]ethanol?
The InChIKey is DNGZKQGDGMZMLE-LSDHQDQOSA-N. The full InChI is InChI=1S/C18H20N6O/c1-2-24(12-13-25)16-10-8-15(9-11-16)20-22-18-19-17(21-23-18)14-6-4-3-5-7-14/h3-11,25H,2,12-13H2,1H3,(H,19,21,23)/b22-20+.
What are the key properties of 2-[N-ethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]anilino]ethanol?
2-[N-ethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]anilino]ethanol has a molecular weight of 336.40 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)diazenyl]anilino]ethanol is sourced from PubChem (CID 136678232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).