2,6-dichloro-4-[3-[(4-fluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol

C16H10Cl2FN3O2 — CID 135870540

IUPAC2,6-dichloro-4-[3-[(4-fluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol
SMILESOc1c(Cl)cc(-c2cnc(OCc3ccc(F)cc3)nn2)cc1Cl
InChIInChI=1S/C16H10Cl2FN3O2/c17-12-5-10(6-13(18)15(12)23)14-7-20-16(22-21-14)24-8-9-1-3-11(19)4-2-9/h1-7,23H,8H2
InChIKeyDDMAAWFKXJFTPH-UHFFFAOYSA-N
MW366.18 g/mol
LogP4.27
Rot. Bonds4

About 2,6-dichloro-4-[3-[(4-fluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol

2,6-dichloro-4-[3-[(4-fluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol (PubChem CID 135870540) has the molecular formula C16H10Cl2FN3O2 and a molecular weight of 366.18 g/mol. Its IUPAC name is 2,6-dichloro-4-[3-[(4-fluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[3-[(4-fluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol
PubChem CID135870540
Molecular FormulaC16H10Cl2FN3O2
Molecular Weight366.18 g/mol
Exact Mass365.01
IUPAC Name2,6-dichloro-4-[3-[(4-fluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol
SMILESOc1c(Cl)cc(-c2cnc(OCc3ccc(F)cc3)nn2)cc1Cl
InChIInChI=1S/C16H10Cl2FN3O2/c17-12-5-10(6-13(18)15(12)23)14-7-20-16(22-21-14)24-8-9-1-3-11(19)4-2-9/h1-7,23H,8H2
InChIKeyDDMAAWFKXJFTPH-UHFFFAOYSA-N
XLogP4.27
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[3-[(4-fluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 2,6-dichloro-4-[3-[(4-fluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol (CID 135870540) is 2,6-dichloro-4-[3-[(4-fluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 2,6-dichloro-4-[3-[(4-fluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 2,6-dichloro-4-[3-[(4-fluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol is Oc1c(Cl)cc(-c2cnc(OCc3ccc(F)cc3)nn2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[3-[(4-fluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol?
The InChIKey is DDMAAWFKXJFTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FN3O2/c17-12-5-10(6-13(18)15(12)23)14-7-20-16(22-21-14)24-8-9-1-3-11(19)4-2-9/h1-7,23H,8H2.
What are the key properties of 2,6-dichloro-4-[3-[(4-fluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol?
2,6-dichloro-4-[3-[(4-fluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol has a molecular weight of 366.18 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[3-[(4-fluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 135870540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).