2-(2-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline

C15H12F3N5 — CID 135372524

IUPAC2-(2-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H12F3N5/c1-23-21-14(20-22-23)12-4-2-3-5-13(12)19-11-8-6-10(7-9-11)15(16,17)18/h2-9,19H,1H3
InChIKeyDFAHDWNXWBTPIL-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.64
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline

2-(2-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 135372524) has the molecular formula C15H12F3N5 and a molecular weight of 319.29 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID135372524
Molecular FormulaC15H12F3N5
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC Name2-(2-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H12F3N5/c1-23-21-14(20-22-23)12-4-2-3-5-13(12)19-11-8-6-10(7-9-11)15(16,17)18/h2-9,19H,1H3
InChIKeyDFAHDWNXWBTPIL-UHFFFAOYSA-N
XLogP3.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline (CID 135372524) is 2-(2-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline is Cn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is DFAHDWNXWBTPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5/c1-23-21-14(20-22-23)12-4-2-3-5-13(12)19-11-8-6-10(7-9-11)15(16,17)18/h2-9,19H,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
2-(2-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 319.29 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 135372524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).