N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline

C16H15FN4 — CID 43686678

IUPACN-[(2-fluorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCn1cnnc1-c1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C16H15FN4/c1-21-11-19-20-16(21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)17/h2-9,11,18H,10H2,1H3
InChIKeyQJCRFWBAVGOKAX-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.23
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline

N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 43686678) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
PubChem CID43686678
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC NameN-[(2-fluorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCn1cnnc1-c1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C16H15FN4/c1-21-11-19-20-16(21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)17/h2-9,11,18H,10H2,1H3
InChIKeyQJCRFWBAVGOKAX-UHFFFAOYSA-N
XLogP3.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline (CID 43686678) is N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline is Cn1cnnc1-c1ccc(NCc2ccccc2F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is QJCRFWBAVGOKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-21-11-19-20-16(21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)17/h2-9,11,18H,10H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline?
N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 282.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 43686678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).