1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine

C15H14FN5 — CID 114688838

IUPAC1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
SMILESCNC(c1ncccc1F)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H14FN5/c1-17-15(14-12(16)8-5-9-18-14)13-10-19-20-21(13)11-6-3-2-4-7-11/h2-10,15,17H,1H3
InChIKeyKWGUTIUAWQMIFL-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.11
Rot. Bonds4

About 1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine

1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine (PubChem CID 114688838) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
PubChem CID114688838
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
SMILESCNC(c1ncccc1F)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H14FN5/c1-17-15(14-12(16)8-5-9-18-14)13-10-19-20-21(13)11-6-3-2-4-7-11/h2-10,15,17H,1H3
InChIKeyKWGUTIUAWQMIFL-UHFFFAOYSA-N
XLogP2.11
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine
CID 114687408
1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
CID 114687548
N-methyl-1-(2-methylpyrimidin-4-yl)-1-(3-phenyltriazol-4-yl)methanamine
CID 114688914
N-methyl-1-(6-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine
CID 114687713
2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 103517148
2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 105043304
(3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 103443749
1-(4-chloro-1-methylpyrazol-5-yl)-1-(3-fluoro-2-pyridinyl)-N-methylmethanamine
CID 114659233
[(5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105248565
[(2-methylpyrimidin-4-yl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105260678
N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine
CID 114687409
1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043450

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine?
The IUPAC name of 1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine (CID 114688838) is 1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for 1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine?
The canonical SMILES for 1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine is CNC(c1ncccc1F)c1cnnn1-c1ccccc1.
What is the InChIKey of 1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine?
The InChIKey is KWGUTIUAWQMIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c1-17-15(14-12(16)8-5-9-18-14)13-10-19-20-21(13)11-6-3-2-4-7-11/h2-10,15,17H,1H3.
What are the key properties of 1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine?
1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine has a molecular weight of 283.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 114688838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).