5-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-1,2,4-triazine

C16H11ClFN3 — CID 21440972

IUPAC5-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-1,2,4-triazine
SMILESCc1nnc(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H11ClFN3/c1-10-19-15(11-2-6-13(17)7-3-11)16(21-20-10)12-4-8-14(18)9-5-12/h2-9H,1H3
InChIKeyKYPKIJGJVDTCQV-UHFFFAOYSA-N
MW299.74 g/mol
LogP4.31
Rot. Bonds2

About 5-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-1,2,4-triazine

5-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-1,2,4-triazine (PubChem CID 21440972) has the molecular formula C16H11ClFN3 and a molecular weight of 299.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-1,2,4-triazine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-1,2,4-triazine
PubChem CID21440972
Molecular FormulaC16H11ClFN3
Molecular Weight299.74 g/mol
Exact Mass299.06
IUPAC Name5-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-1,2,4-triazine
SMILESCc1nnc(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H11ClFN3/c1-10-19-15(11-2-6-13(17)7-3-11)16(21-20-10)12-4-8-14(18)9-5-12/h2-9H,1H3
InChIKeyKYPKIJGJVDTCQV-UHFFFAOYSA-N
XLogP4.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-1,2,4-triazine?
The IUPAC name of 5-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-1,2,4-triazine (CID 21440972) is 5-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-1,2,4-triazine.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-1,2,4-triazine?
The canonical SMILES for 5-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-1,2,4-triazine is Cc1nnc(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-1,2,4-triazine?
The InChIKey is KYPKIJGJVDTCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3/c1-10-19-15(11-2-6-13(17)7-3-11)16(21-20-10)12-4-8-14(18)9-5-12/h2-9H,1H3.
What are the key properties of 5-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-1,2,4-triazine?
5-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-1,2,4-triazine has a molecular weight of 299.74 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-1,2,4-triazine is sourced from PubChem (CID 21440972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).