1-(2-fluorophenyl)-N-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]methanamine

C15H19FN4O — CID 74248043

IUPAC1-(2-fluorophenyl)-N-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]methanamine
SMILESCN(Cc1nc(C2CCOC2)n[nH]1)Cc1ccccc1F
InChIInChI=1S/C15H19FN4O/c1-20(8-11-4-2-3-5-13(11)16)9-14-17-15(19-18-14)12-6-7-21-10-12/h2-5,12H,6-10H2,1H3,(H,17,18,19)
InChIKeyRYIKLXFMMXVKJV-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.08
Rot. Bonds5

About 1-(2-fluorophenyl)-N-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]methanamine

1-(2-fluorophenyl)-N-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]methanamine (PubChem CID 74248043) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]methanamine
PubChem CID74248043
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name1-(2-fluorophenyl)-N-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]methanamine
SMILESCN(Cc1nc(C2CCOC2)n[nH]1)Cc1ccccc1F
InChIInChI=1S/C15H19FN4O/c1-20(8-11-4-2-3-5-13(11)16)9-14-17-15(19-18-14)12-6-7-21-10-12/h2-5,12H,6-10H2,1H3,(H,17,18,19)
InChIKeyRYIKLXFMMXVKJV-UHFFFAOYSA-N
XLogP2.08
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]methanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]methanamine (CID 74248043) is 1-(2-fluorophenyl)-N-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]methanamine is CN(Cc1nc(C2CCOC2)n[nH]1)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]methanamine?
The InChIKey is RYIKLXFMMXVKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-20(8-11-4-2-3-5-13(11)16)9-14-17-15(19-18-14)12-6-7-21-10-12/h2-5,12H,6-10H2,1H3,(H,17,18,19).
What are the key properties of 1-(2-fluorophenyl)-N-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]methanamine?
1-(2-fluorophenyl)-N-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]methanamine has a molecular weight of 290.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]methanamine is sourced from PubChem (CID 74248043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).