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

C15H13FN4 — CID 43740296

IUPACN-[(3-fluorophenyl)methyl]-4-(triazol-2-yl)aniline
SMILESFc1cccc(CNc2ccc(-n3nccn3)cc2)c1
InChIInChI=1S/C15H13FN4/c16-13-3-1-2-12(10-13)11-17-14-4-6-15(7-5-14)20-18-8-9-19-20/h1-10,17H,11H2
InChIKeyNMHAOXUBFKOZBO-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.02
Rot. Bonds4

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

N-[(3-fluorophenyl)methyl]-4-(triazol-2-yl)aniline (PubChem CID 43740296) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-(triazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-(triazol-2-yl)aniline
PubChem CID43740296
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC NameN-[(3-fluorophenyl)methyl]-4-(triazol-2-yl)aniline
SMILESFc1cccc(CNc2ccc(-n3nccn3)cc2)c1
InChIInChI=1S/C15H13FN4/c16-13-3-1-2-12(10-13)11-17-14-4-6-15(7-5-14)20-18-8-9-19-20/h1-10,17H,11H2
InChIKeyNMHAOXUBFKOZBO-UHFFFAOYSA-N
XLogP3.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-(triazol-2-yl)aniline?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-(triazol-2-yl)aniline (CID 43740296) is N-[(3-fluorophenyl)methyl]-4-(triazol-2-yl)aniline.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-(triazol-2-yl)aniline?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-(triazol-2-yl)aniline is Fc1cccc(CNc2ccc(-n3nccn3)cc2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-(triazol-2-yl)aniline?
The InChIKey is NMHAOXUBFKOZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4/c16-13-3-1-2-12(10-13)11-17-14-4-6-15(7-5-14)20-18-8-9-19-20/h1-10,17H,11H2.
What are the key properties of N-[(3-fluorophenyl)methyl]-4-(triazol-2-yl)aniline?
N-[(3-fluorophenyl)methyl]-4-(triazol-2-yl)aniline has a molecular weight of 268.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-(triazol-2-yl)aniline is sourced from PubChem (CID 43740296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).