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

C11H6ClFN6O — CID 62870668

IUPAC2-chloro-4-(2-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
SMILESFc1ccccc1Oc1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C11H6ClFN6O/c12-9-16-10(19-6-14-5-15-19)18-11(17-9)20-8-4-2-1-3-7(8)13/h1-6H
InChIKeyZDKUMDFTTPLPIU-UHFFFAOYSA-N
MW292.66 g/mol
LogP2.04
Rot. Bonds3

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

2-chloro-4-(2-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine (PubChem CID 62870668) has the molecular formula C11H6ClFN6O and a molecular weight of 292.66 g/mol. Its IUPAC name is 2-chloro-4-(2-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
PubChem CID62870668
Molecular FormulaC11H6ClFN6O
Molecular Weight292.66 g/mol
Exact Mass292.03
IUPAC Name2-chloro-4-(2-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
SMILESFc1ccccc1Oc1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C11H6ClFN6O/c12-9-16-10(19-6-14-5-15-19)18-11(17-9)20-8-4-2-1-3-7(8)13/h1-6H
InChIKeyZDKUMDFTTPLPIU-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-(4-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 62869968
4-(2-methylsulfanylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80880693
2-chloro-4-(2-fluoro-4-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 115505173
4-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62868495
2-chloro-4-(3-methoxypropoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 55124429
2-chloro-4-(2-propoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 63685456
4-(5-bromo-2-chlorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80878839
[4-(2-fluorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80909244
4-chloro-N-(4-chloro-3-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62862884
4-chloro-N-(3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62868168
4-(2-fluoro-3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 82792835
4-chloro-N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62863026

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine (CID 62870668) is 2-chloro-4-(2-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine is Fc1ccccc1Oc1nc(Cl)nc(-n2cncn2)n1.
What is the InChIKey of 2-chloro-4-(2-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The InChIKey is ZDKUMDFTTPLPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN6O/c12-9-16-10(19-6-14-5-15-19)18-11(17-9)20-8-4-2-1-3-7(8)13/h1-6H.
What are the key properties of 2-chloro-4-(2-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
2-chloro-4-(2-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-(2-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine is sourced from PubChem (CID 62870668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).