2-chloro-4-(4-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine

C11H6ClFN6O — CID 62869968

IUPAC2-chloro-4-(4-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
SMILESFc1ccc(Oc2nc(Cl)nc(-n3cncn3)n2)cc1
InChIInChI=1S/C11H6ClFN6O/c12-9-16-10(19-6-14-5-15-19)18-11(17-9)20-8-3-1-7(13)2-4-8/h1-6H
InChIKeyXGQXSBNJWUEDOW-UHFFFAOYSA-N
MW292.66 g/mol
LogP2.04
Rot. Bonds3

About 2-chloro-4-(4-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine

2-chloro-4-(4-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine (PubChem CID 62869968) has the molecular formula C11H6ClFN6O and a molecular weight of 292.66 g/mol. Its IUPAC name is 2-chloro-4-(4-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(4-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
PubChem CID62869968
Molecular FormulaC11H6ClFN6O
Molecular Weight292.66 g/mol
Exact Mass292.03
IUPAC Name2-chloro-4-(4-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
SMILESFc1ccc(Oc2nc(Cl)nc(-n3cncn3)n2)cc1
InChIInChI=1S/C11H6ClFN6O/c12-9-16-10(19-6-14-5-15-19)18-11(17-9)20-8-3-1-7(13)2-4-8/h1-6H
InChIKeyXGQXSBNJWUEDOW-UHFFFAOYSA-N
XLogP2.04
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.66
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-4-(2-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 62870668
4-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62868495
2-chloro-4-(2-fluoro-4-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 115505173
2-chloro-4-(3-methoxypropoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 55124429
4-(4-iodophenoxy)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80875114
2,4-dichloro-6-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenoxy]-1,3,5-triazine
CID 10341266
2-chloro-4-(2-propoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 63685456
4-(4-fluorophenoxy)-2-[3-(1,2,4-triazol-1-yl)phenoxy]pyrimidine
CID 75512150
2-chloro-4-(3,4-dimethylphenoxy)-6-pyrazol-1-yl-1,3,5-triazine
CID 62870497
4-chloro-N-(3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62868168
2-(4-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62868436
4-chloro-N-(4-chloro-3-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62862884

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(4-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine (CID 62869968) is 2-chloro-4-(4-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(4-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(4-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine is Fc1ccc(Oc2nc(Cl)nc(-n3cncn3)n2)cc1.
What is the InChIKey of 2-chloro-4-(4-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The InChIKey is XGQXSBNJWUEDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN6O/c12-9-16-10(19-6-14-5-15-19)18-11(17-9)20-8-3-1-7(13)2-4-8/h1-6H.
What are the key properties of 2-chloro-4-(4-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
2-chloro-4-(4-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine has a molecular weight of 292.66 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine is sourced from PubChem (CID 62869968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).