4-fluoro-2-[2-methyl-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]phenol

C15H13FN4O — CID 135429652

IUPAC4-fluoro-2-[2-methyl-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]phenol
SMILESCc1cccnc1-c1nc(-c2cc(F)ccc2O)n(C)n1
InChIInChI=1S/C15H13FN4O/c1-9-4-3-7-17-13(9)14-18-15(20(2)19-14)11-8-10(16)5-6-12(11)21/h3-8,21H,1-2H3
InChIKeyRUNWEEGRWTWGGC-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.70
Rot. Bonds2

About 4-fluoro-2-[2-methyl-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]phenol

4-fluoro-2-[2-methyl-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]phenol (PubChem CID 135429652) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-fluoro-2-[2-methyl-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[2-methyl-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]phenol
PubChem CID135429652
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name4-fluoro-2-[2-methyl-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]phenol
SMILESCc1cccnc1-c1nc(-c2cc(F)ccc2O)n(C)n1
InChIInChI=1S/C15H13FN4O/c1-9-4-3-7-17-13(9)14-18-15(20(2)19-14)11-8-10(16)5-6-12(11)21/h3-8,21H,1-2H3
InChIKeyRUNWEEGRWTWGGC-UHFFFAOYSA-N
XLogP2.70
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-B][1,2,4]triazin-3-Yl]methyl]phenol
CID 11324689
Phenol, 2,6-dimethyl-4-[[5-(4-pyridinyl)-1H-1,2,3,4-tetrazol-1-yl]methyl]-
CID 1503698
5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452183
7-[5-[(4-Fluorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135869505
2-Methyl-5-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 9794758
2-Methyl-5-(5-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 9859850
2-Methyl-5-(6-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 10131256
3''''-Fluoro-5''''-(5-pyridin-2-yl-tetrazol-2-yl)-biphenyl-2-ol
CID 44395532
3''''-(5-Pyridin-2-yl-tetrazol-2-yl)-biphenyl-2-ol
CID 44395661
2-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)phenol
CID 918274
7-[5-[(4-Fluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135869506
5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452185

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[2-methyl-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 4-fluoro-2-[2-methyl-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]phenol (CID 135429652) is 4-fluoro-2-[2-methyl-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 4-fluoro-2-[2-methyl-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 4-fluoro-2-[2-methyl-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]phenol is Cc1cccnc1-c1nc(-c2cc(F)ccc2O)n(C)n1.
What is the InChIKey of 4-fluoro-2-[2-methyl-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]phenol?
The InChIKey is RUNWEEGRWTWGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-9-4-3-7-17-13(9)14-18-15(20(2)19-14)11-8-10(16)5-6-12(11)21/h3-8,21H,1-2H3.
What are the key properties of 4-fluoro-2-[2-methyl-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]phenol?
4-fluoro-2-[2-methyl-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]phenol has a molecular weight of 284.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[2-methyl-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135429652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).