(5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine

C14H12FN5 — CID 114688571

IUPAC(5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
SMILESNC(c1ccc(F)cn1)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H12FN5/c15-10-6-7-12(17-8-10)14(16)13-9-18-19-20(13)11-4-2-1-3-5-11/h1-9,14H,16H2
InChIKeyXVZVXJAHBIOFAV-UHFFFAOYSA-N
MW269.28 g/mol
LogP1.85
Rot. Bonds3

About (5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine

(5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine (PubChem CID 114688571) has the molecular formula C14H12FN5 and a molecular weight of 269.28 g/mol. Its IUPAC name is (5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
PubChem CID114688571
Molecular FormulaC14H12FN5
Molecular Weight269.28 g/mol
Exact Mass269.11
IUPAC Name(5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
SMILESNC(c1ccc(F)cn1)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H12FN5/c15-10-6-7-12(17-8-10)14(16)13-9-18-19-20(13)11-4-2-1-3-5-11/h1-9,14H,16H2
InChIKeyXVZVXJAHBIOFAV-UHFFFAOYSA-N
XLogP1.85
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105248565
(5-methylpyrazin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 105184416
(5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 114688939
(2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 105043267
(5-bromo-2-fluorophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 114894453
1-[3-(4-fluorophenyl)triazol-4-yl]ethanamine
CID 117167368
(4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 114686892
(3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 103443749
(5-fluoro-2-pyridinyl)-(4-phenylphenyl)methanamine
CID 79705608
2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686314
2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine
CID 114687525
(2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine
CID 107969139

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine?
The IUPAC name of (5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine (CID 114688571) is (5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for (5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine?
The canonical SMILES for (5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine is NC(c1ccc(F)cn1)c1cnnn1-c1ccccc1.
What is the InChIKey of (5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine?
The InChIKey is XVZVXJAHBIOFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5/c15-10-6-7-12(17-8-10)14(16)13-9-18-19-20(13)11-4-2-1-3-5-11/h1-9,14H,16H2.
What are the key properties of (5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine?
(5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine has a molecular weight of 269.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 114688571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).