N,6-bis(4-fluorophenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine

C20H13F2N5 — CID 146048297

IUPACN,6-bis(4-fluorophenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESFc1ccc(Nc2nc(-c3ccccn3)nnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H13F2N5/c21-14-6-4-13(5-7-14)18-20(24-16-10-8-15(22)9-11-16)25-19(27-26-18)17-3-1-2-12-23-17/h1-12H,(H,24,25,27)
InChIKeySMVDTEDLHPADRD-UHFFFAOYSA-N
MW361.36 g/mol
LogP4.62
Rot. Bonds4

About N,6-bis(4-fluorophenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine

N,6-bis(4-fluorophenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine (PubChem CID 146048297) has the molecular formula C20H13F2N5 and a molecular weight of 361.36 g/mol. Its IUPAC name is N,6-bis(4-fluorophenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN,6-bis(4-fluorophenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine
PubChem CID146048297
Molecular FormulaC20H13F2N5
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC NameN,6-bis(4-fluorophenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESFc1ccc(Nc2nc(-c3ccccn3)nnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H13F2N5/c21-14-6-4-13(5-7-14)18-20(24-16-10-8-15(22)9-11-16)25-19(27-26-18)17-3-1-2-12-23-17/h1-12H,(H,24,25,27)
InChIKeySMVDTEDLHPADRD-UHFFFAOYSA-N
XLogP4.62
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6-bis(4-fluorophenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of N,6-bis(4-fluorophenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine (CID 146048297) is N,6-bis(4-fluorophenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N,6-bis(4-fluorophenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N,6-bis(4-fluorophenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine is Fc1ccc(Nc2nc(-c3ccccn3)nnc2-c2ccc(F)cc2)cc1.
What is the InChIKey of N,6-bis(4-fluorophenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The InChIKey is SMVDTEDLHPADRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N5/c21-14-6-4-13(5-7-14)18-20(24-16-10-8-15(22)9-11-16)25-19(27-26-18)17-3-1-2-12-23-17/h1-12H,(H,24,25,27).
What are the key properties of N,6-bis(4-fluorophenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine?
N,6-bis(4-fluorophenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine has a molecular weight of 361.36 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-bis(4-fluorophenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 146048297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).