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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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).