6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine

C16H14FN5 — CID 67364057

IUPAC6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
SMILESCc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(C)n1
InChIInChI=1S/C16H14FN5/c1-9-7-12(8-10(2)19-9)15-14(20-16(18)22-21-15)11-3-5-13(17)6-4-11/h3-8H,1-2H3,(H2,18,20,22)
InChIKeyNEYZTILMBRSITP-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.94
Rot. Bonds2

About 6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine

6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine (PubChem CID 67364057) has the molecular formula C16H14FN5 and a molecular weight of 295.32 g/mol. Its IUPAC name is 6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
PubChem CID67364057
Molecular FormulaC16H14FN5
Molecular Weight295.32 g/mol
Exact Mass295.12
IUPAC Name6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
SMILESCc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(C)n1
InChIInChI=1S/C16H14FN5/c1-9-7-12(8-10(2)19-9)15-14(20-16(18)22-21-15)11-3-5-13(17)6-4-11/h3-8H,1-2H3,(H2,18,20,22)
InChIKeyNEYZTILMBRSITP-UHFFFAOYSA-N
XLogP2.94
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine (CID 67364057) is 6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine is Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(C)n1.
What is the InChIKey of 6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The InChIKey is NEYZTILMBRSITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5/c1-9-7-12(8-10(2)19-9)15-14(20-16(18)22-21-15)11-3-5-13(17)6-4-11/h3-8H,1-2H3,(H2,18,20,22).
What are the key properties of 6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine has a molecular weight of 295.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 67364057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).