1-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]naphthalen-2-ol

C18H11F3N4O — CID 135429582

IUPAC1-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1n[nH]c(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C18H11F3N4O/c19-18(20,21)11-6-7-13(22-9-11)16-23-17(25-24-16)15-12-4-2-1-3-10(12)5-8-14(15)26/h1-9,26H,(H,23,24,25)
InChIKeyHCFFCZUKCBRBDG-UHFFFAOYSA-N
MW356.31 g/mol
LogP4.41
Rot. Bonds2

About 1-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]naphthalen-2-ol

1-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]naphthalen-2-ol (PubChem CID 135429582) has the molecular formula C18H11F3N4O and a molecular weight of 356.31 g/mol. Its IUPAC name is 1-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]naphthalen-2-ol
PubChem CID135429582
Molecular FormulaC18H11F3N4O
Molecular Weight356.31 g/mol
Exact Mass356.09
IUPAC Name1-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1n[nH]c(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C18H11F3N4O/c19-18(20,21)11-6-7-13(22-9-11)16-23-17(25-24-16)15-12-4-2-1-3-10(12)5-8-14(15)26/h1-9,26H,(H,23,24,25)
InChIKeyHCFFCZUKCBRBDG-UHFFFAOYSA-N
XLogP4.41
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]naphthalen-2-ol with MolForge

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Related Compounds

2-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)phenol
CID 918274
2-hydroxy-1-naphthaldehyde [4-(1H-imidazol-2-yl)-1-phthalazinyl]hydrazone
CID 135490259
2-hydroxy-5-(5-(2-methylpyridin-4-yl)-2H-1,2,4-triazol-3-yl)benzonitrile
CID 135960819
7-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-8-ol
CID 156018098
1-(((3-Mercapto-5-(2-pyridinyl)-4H-1,2,4-triazol-4-YL)imino)methyl)-2-naphthol
CID 135651166
3-[2-[5-Methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenol
CID 134808910
1-[5-(2-fluoro-5-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]isoquinoline
CID 15957191
4-fluoro-2-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135429485
4-fluoro-2-[3-(1-isoquinolyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135429497
4-tert-butyl-2-[3-[4-(trifluoromethyl)-3-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429522
4-fluoro-2-[3-[4-(trifluoromethyl)-3-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429524
4-methyl-2-[3-[4-(trifluoromethyl)-3-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429530

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]naphthalen-2-ol?
The IUPAC name of 1-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]naphthalen-2-ol (CID 135429582) is 1-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]naphthalen-2-ol?
The canonical SMILES for 1-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]naphthalen-2-ol is Oc1ccc2ccccc2c1-c1n[nH]c(-c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 1-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]naphthalen-2-ol?
The InChIKey is HCFFCZUKCBRBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O/c19-18(20,21)11-6-7-13(22-9-11)16-23-17(25-24-16)15-12-4-2-1-3-10(12)5-8-14(15)26/h1-9,26H,(H,23,24,25).
What are the key properties of 1-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]naphthalen-2-ol?
1-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]naphthalen-2-ol has a molecular weight of 356.31 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]naphthalen-2-ol is sourced from PubChem (CID 135429582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).