6-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine

C16H14FN5 — CID 121410426

IUPAC6-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine
SMILESCc1c(-c2nnc(N)nc2-c2ccccc2)ccnc1CF
InChIInChI=1S/C16H14FN5/c1-10-12(7-8-19-13(10)9-17)15-14(20-16(18)22-21-15)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,18,20,22)
InChIKeyFKHQMWWLSIXLRJ-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.96
Rot. Bonds3

About 6-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine

6-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 121410426) has the molecular formula C16H14FN5 and a molecular weight of 295.32 g/mol. Its IUPAC name is 6-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine
PubChem CID121410426
Molecular FormulaC16H14FN5
Molecular Weight295.32 g/mol
Exact Mass295.12
IUPAC Name6-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine
SMILESCc1c(-c2nnc(N)nc2-c2ccccc2)ccnc1CF
InChIInChI=1S/C16H14FN5/c1-10-12(7-8-19-13(10)9-17)15-14(20-16(18)22-21-15)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,18,20,22)
InChIKeyFKHQMWWLSIXLRJ-UHFFFAOYSA-N
XLogP2.96
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Imaradenant
CID 86676119
3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine
CID 70588
Tt-301
CID 54576073
VK-19911
CID 9797240
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064
5-(3-(Difluoromethyl)-4-fluorophenyl)-3-((2-methyl-1H-imidazol-1-yl)methyl)pyridazine
CID 22240172
4-phenyl-N~1~-[(1E)-phenylmethylene]-1H-imidazole-1,2-diamine
CID 6858937
5-Phenyl-1,2,4-triazin-3-amine
CID 97081
6-Phenyl-1,2,4-triazin-3-amine
CID 120468
2-Phenylimidazo[2,1-a]phthalazin-6-amine
CID 3765310
4-[5-(4-Fluoro-phenyl)-3-(1-methyl-piperidin-4-yl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 22464113
3-Phenyl-4-(Pyridin-4-Yl)-6-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]pyridazine
CID 24743826

Frequently Asked Questions

What is the IUPAC name of 6-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine (CID 121410426) is 6-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine is Cc1c(-c2nnc(N)nc2-c2ccccc2)ccnc1CF.
What is the InChIKey of 6-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is FKHQMWWLSIXLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5/c1-10-12(7-8-19-13(10)9-17)15-14(20-16(18)22-21-15)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,18,20,22).
What are the key properties of 6-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine?
6-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 295.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(fluoromethyl)-3-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 121410426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).