N-(3,4-difluorophenyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine

C20H13F2N5 — CID 146048292

IUPACN-(3,4-difluorophenyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESFc1ccc(Nc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1F
InChIInChI=1S/C20H13F2N5/c21-15-10-9-14(12-16(15)22)24-20-18(13-6-2-1-3-7-13)26-27-19(25-20)17-8-4-5-11-23-17/h1-12H,(H,24,25,27)
InChIKeyRBUJZWXPAJQUEO-UHFFFAOYSA-N
MW361.36 g/mol
LogP4.62
Rot. Bonds4

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

N-(3,4-difluorophenyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (PubChem CID 146048292) has the molecular formula C20H13F2N5 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
PubChem CID146048292
Molecular FormulaC20H13F2N5
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC NameN-(3,4-difluorophenyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESFc1ccc(Nc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1F
InChIInChI=1S/C20H13F2N5/c21-15-10-9-14(12-16(15)22)24-20-18(13-6-2-1-3-7-13)26-27-19(25-20)17-8-4-5-11-23-17/h1-12H,(H,24,25,27)
InChIKeyRBUJZWXPAJQUEO-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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Related Compounds

6-phenyl-3-pyridin-2-yl-N-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazin-5-amine
CID 146048319
5-chloro-6-phenyl-3-pyridin-2-yl-1,2,4-triazine
CID 14642993
N-(2-phenylethyl)-4-[6-[4-(2-phenylethylamino)phenyl]-3-pyridin-2-yl-1,2,4-triazin-5-yl]aniline
CID 122393685
5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine
CID 6405145
2-[4-(3,4-difluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile
CID 71180181
7,8-difluoro-3-pyridin-2-yl-5H-[1,2,4]triazino[5,6-b]indole
CID 172635167
N-(3-methylbutyl)-4-[6-[4-(3-methylbutylamino)phenyl]-3-pyridin-2-yl-1,2,4-triazin-5-yl]aniline
CID 122393679
4-N-(3,4-difluorophenyl)-2-phenylquinoline-4,6-diamine
CID 22417877
N-(3,4-difluorophenyl)-5-phenyl-2H-triazole-4-carboxamide
CID 166221920
4,6-diphenyl-2-pyridin-2-ylpyrimidine;ethane
CID 145283767
6-phenyl-3-pyridin-2-yl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-triazine
CID 45099949
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-(3,4-difluorophenyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (CID 146048292) is N-(3,4-difluorophenyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is Fc1ccc(Nc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1F.
What is the InChIKey of N-(3,4-difluorophenyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The InChIKey is RBUJZWXPAJQUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N5/c21-15-10-9-14(12-16(15)22)24-20-18(13-6-2-1-3-7-13)26-27-19(25-20)17-8-4-5-11-23-17/h1-12H,(H,24,25,27).
What are the key properties of N-(3,4-difluorophenyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
N-(3,4-difluorophenyl)-6-phenyl-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-(3,4-difluorophenyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 146048292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).