4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol

C17H11FN4O — CID 135429497

IUPAC4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol
SMILESOc1ccc(F)cc1-c1n[nH]c(-c2nccc3ccccc23)n1
InChIInChI=1S/C17H11FN4O/c18-11-5-6-14(23)13(9-11)16-20-17(22-21-16)15-12-4-2-1-3-10(12)7-8-19-15/h1-9,23H,(H,20,21,22)
InChIKeyLNUIYEJZDHPJLD-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.53
Rot. Bonds2

About 4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol

4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol (PubChem CID 135429497) has the molecular formula C17H11FN4O and a molecular weight of 306.30 g/mol. Its IUPAC name is 4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol
PubChem CID135429497
Molecular FormulaC17H11FN4O
Molecular Weight306.30 g/mol
Exact Mass306.09
IUPAC Name4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol
SMILESOc1ccc(F)cc1-c1n[nH]c(-c2nccc3ccccc23)n1
InChIInChI=1S/C17H11FN4O/c18-11-5-6-14(23)13(9-11)16-20-17(22-21-16)15-12-4-2-1-3-10(12)7-8-19-15/h1-9,23H,(H,20,21,22)
InChIKeyLNUIYEJZDHPJLD-UHFFFAOYSA-N
XLogP3.53
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol with MolForge

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Related Compounds

7-(5-benzyl-4H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol
CID 135422932
7-(5-phenethyl-4H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol
CID 135424644
7-[5-(4-Fluorobenzyl)-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135518254
7-[5-(4-pyridylmethyl)-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135445370
7-[5-(3-pyridylmethyl)-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135497031
3''''-Fluoro-5''''-(5-pyridin-2-yl-tetrazol-2-yl)-biphenyl-2-ol
CID 44395532
2-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)phenol
CID 918274
5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452189
7-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-8-ol
CID 156018098
2-(5-benzyl-1H-1,2,4-triazol-3-yl)pyridin-3-ol
CID 136085432
7-(5-methyl-1H-1,2,4-triazol-3-yl)-4-phenyl-1,6-naphthyridin-8-ol
CID 156017663
7-[5-[hydroxy(phenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 156021201

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol (CID 135429497) is 4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol is Oc1ccc(F)cc1-c1n[nH]c(-c2nccc3ccccc23)n1.
What is the InChIKey of 4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol?
The InChIKey is LNUIYEJZDHPJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O/c18-11-5-6-14(23)13(9-11)16-20-17(22-21-16)15-12-4-2-1-3-10(12)7-8-19-15/h1-9,23H,(H,20,21,22).
What are the key properties of 4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol?
4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol has a molecular weight of 306.30 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(5-isoquinolin-1-yl-1H-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 135429497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).