3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)phenol

C9H8FN3O — CID 137191025

IUPAC3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)phenol
SMILESCn1ncnc1-c1ccc(O)cc1F
InChIInChI=1S/C9H8FN3O/c1-13-9(11-5-12-13)7-3-2-6(14)4-8(7)10/h2-5,14H,1H3
InChIKeyXQYJJYSQEHLSEJ-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.33
Rot. Bonds1

About 3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)phenol

3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)phenol (PubChem CID 137191025) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)phenol
PubChem CID137191025
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)phenol
SMILESCn1ncnc1-c1ccc(O)cc1F
InChIInChI=1S/C9H8FN3O/c1-13-9(11-5-12-13)7-3-2-6(14)4-8(7)10/h2-5,14H,1H3
InChIKeyXQYJJYSQEHLSEJ-UHFFFAOYSA-N
XLogP1.33
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol
CID 2768020
2-(4H-1,2,4-triazol-3-yl)phenol
CID 136008534
4-(4H-1,2,4-triazol-3-yl)phenol
CID 135636849
2-{1-[2-(diethylamino)ethyl]-3-methyl-1H-1,2,4-triazol-5-yl}phenol
CID 1251433
4-(4-Methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-yl)-phenol
CID 649850
4-(5-amino-1H-1,2,4-triazol-3-yl)phenol
CID 135629271
3-[5-(3-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 25093383
3-[5-(4-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899473
4-[5-(3-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899474
4-[5-(4-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899490
3-(4H-1,2,4-triazol-3-yl)phenol
CID 53626269
4-(1-methyl-1H-1,2,4-triazol-3-yl)phenol
CID 136270902

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)phenol (CID 137191025) is 3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)phenol is Cn1ncnc1-c1ccc(O)cc1F.
What is the InChIKey of 3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)phenol?
The InChIKey is XQYJJYSQEHLSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c1-13-9(11-5-12-13)7-3-2-6(14)4-8(7)10/h2-5,14H,1H3.
What are the key properties of 3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)phenol?
3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)phenol has a molecular weight of 193.18 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 137191025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).