N-[(1R)-1-(4-fluorophenyl)ethyl]-6-[5-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,2,4-triazin-3-amine

C18H15F4N5 — CID 169260419

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-6-[5-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,2,4-triazin-3-amine
SMILESC[C@@H](Nc1ncc(-c2cncc(CC(F)(F)F)c2)nn1)c1ccc(F)cc1
InChIInChI=1S/C18H15F4N5/c1-11(13-2-4-15(19)5-3-13)25-17-24-10-16(26-27-17)14-6-12(8-23-9-14)7-18(20,21)22/h2-6,8-11H,7H2,1H3,(H,24,25,27)/t11-/m1/s1
InChIKeyWOMBFMICPLIVAC-LLVKDONJSA-N
MW377.35 g/mol
LogP4.35
Rot. Bonds5

About N-[(1R)-1-(4-fluorophenyl)ethyl]-6-[5-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,2,4-triazin-3-amine

N-[(1R)-1-(4-fluorophenyl)ethyl]-6-[5-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,2,4-triazin-3-amine (PubChem CID 169260419) has the molecular formula C18H15F4N5 and a molecular weight of 377.35 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-6-[5-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-6-[5-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,2,4-triazin-3-amine
PubChem CID169260419
Molecular FormulaC18H15F4N5
Molecular Weight377.35 g/mol
Exact Mass377.13
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-6-[5-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,2,4-triazin-3-amine
SMILESC[C@@H](Nc1ncc(-c2cncc(CC(F)(F)F)c2)nn1)c1ccc(F)cc1
InChIInChI=1S/C18H15F4N5/c1-11(13-2-4-15(19)5-3-13)25-17-24-10-16(26-27-17)14-6-12(8-23-9-14)7-18(20,21)22/h2-6,8-11H,7H2,1H3,(H,24,25,27)/t11-/m1/s1
InChIKeyWOMBFMICPLIVAC-LLVKDONJSA-N
XLogP4.35
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-ethyl-3-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
CID 170311252
5-[5-(2-fluoroethyl)-3-pyridinyl]-N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
CID 170311206
5-[3-[1-(4-fluorophenyl)ethylamino]-1,2,4-triazin-6-yl]-3-methyl-1,3-benzoxazol-2-one
CID 170311239
5-[3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1,2,4-triazin-6-yl]-3-(methylsulfanylmethyl)-1,3-benzoxazol-2-one
CID 169260341
2,2-difluoro-1-[5-[5-[1-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-3-pyridinyl]ethanol
CID 169260425
(1R)-1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880962
N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60726849
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 95561128
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-pyridin-3-ylpyrimidin-2-amine
CID 86659381
2-[1-(4-fluorophenyl)ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181525
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
CID 171059256
N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62960002

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-6-[5-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,2,4-triazin-3-amine?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-6-[5-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,2,4-triazin-3-amine (CID 169260419) is N-[(1R)-1-(4-fluorophenyl)ethyl]-6-[5-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-6-[5-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-6-[5-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,2,4-triazin-3-amine is C[C@@H](Nc1ncc(-c2cncc(CC(F)(F)F)c2)nn1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-6-[5-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,2,4-triazin-3-amine?
The InChIKey is WOMBFMICPLIVAC-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15F4N5/c1-11(13-2-4-15(19)5-3-13)25-17-24-10-16(26-27-17)14-6-12(8-23-9-14)7-18(20,21)22/h2-6,8-11H,7H2,1H3,(H,24,25,27)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-6-[5-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,2,4-triazin-3-amine?
N-[(1R)-1-(4-fluorophenyl)ethyl]-6-[5-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,2,4-triazin-3-amine has a molecular weight of 377.35 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-6-[5-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 169260419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).