5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine

C19H14FN5 — CID 142401027

IUPAC5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine
SMILES[2H]C([2H])([2H])c1ccnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C19H14FN5/c1-11-8-9-22-16-7-4-13(10-15(11)16)18-17(23-19(21)25-24-18)12-2-5-14(20)6-3-12/h2-10H,1H3,(H2,21,23,25)/i1D3
InChIKeyNCLSPJAZRBHHEE-FIBGUPNXSA-N
MW334.37 g/mol
LogP3.78
Rot. Bonds3

About 5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine

5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine (PubChem CID 142401027) has the molecular formula C19H14FN5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine
PubChem CID142401027
Molecular FormulaC19H14FN5
Molecular Weight334.37 g/mol
Exact Mass334.14
IUPAC Name5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine
SMILES[2H]C([2H])([2H])c1ccnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C19H14FN5/c1-11-8-9-22-16-7-4-13(10-15(11)16)18-17(23-19(21)25-24-18)12-2-5-14(20)6-3-12/h2-10H,1H3,(H2,21,23,25)/i1D3
InChIKeyNCLSPJAZRBHHEE-FIBGUPNXSA-N
XLogP3.78
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-fluorophenyl)-6-(8-fluoroquinolin-6-yl)-1,2,4-triazin-3-amine;5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine;6-(3-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine
CID 161455062
6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine
CID 135234314
6-(4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine
CID 135234262
6-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53353233
5-(4-fluorophenyl)-6-methyl-1,2,4-triazin-3-amine
CID 43134540
6-(3-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 158796576
[8-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 137372379
8-amino-6-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 151528995
8-amino-N-(2,2-dimethylpropyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 152705743
5-(4-methylquinolin-6-yl)-6-pyridin-4-yltetrazolo[1,5-a]pyrazin-8-amine
CID 168758978
6-bromo-4-ethyl-8-fluoroquinoline;6-bromo-8-fluoro-4-methylquinoline;bis(6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine)
CID 160860411
4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine
CID 175370030

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine (CID 142401027) is 5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine is [2H]C([2H])([2H])c1ccnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12.
What is the InChIKey of 5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine?
The InChIKey is NCLSPJAZRBHHEE-FIBGUPNXSA-N. The full InChI is InChI=1S/C19H14FN5/c1-11-8-9-22-16-7-4-13(10-15(11)16)18-17(23-19(21)25-24-18)12-2-5-14(20)6-3-12/h2-10H,1H3,(H2,21,23,25)/i1D3.
What are the key properties of 5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine?
5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine has a molecular weight of 334.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 142401027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).