N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine

C15H12F3N5O — CID 134815486

IUPACN-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine
SMILESCOc1ccc(Nc2nnnn2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H12F3N5O/c1-24-13-7-5-11(6-8-13)19-14-20-21-22-23(14)12-4-2-3-10(9-12)15(16,17)18/h2-9H,1H3,(H,19,20,22)
InChIKeyNKTAQNVBWXQEGU-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.43
Rot. Bonds4

About N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine

N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine (PubChem CID 134815486) has the molecular formula C15H12F3N5O and a molecular weight of 335.29 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine
PubChem CID134815486
Molecular FormulaC15H12F3N5O
Molecular Weight335.29 g/mol
Exact Mass335.10
IUPAC NameN-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine
SMILESCOc1ccc(Nc2nnnn2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H12F3N5O/c1-24-13-7-5-11(6-8-13)19-14-20-21-22-23(14)12-4-2-3-10(9-12)15(16,17)18/h2-9H,1H3,(H,19,20,22)
InChIKeyNKTAQNVBWXQEGU-UHFFFAOYSA-N
XLogP3.43
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine?
The IUPAC name of N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine (CID 134815486) is N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine?
The canonical SMILES for N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine is COc1ccc(Nc2nnnn2-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine?
The InChIKey is NKTAQNVBWXQEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O/c1-24-13-7-5-11(6-8-13)19-14-20-21-22-23(14)12-4-2-3-10(9-12)15(16,17)18/h2-9H,1H3,(H,19,20,22).
What are the key properties of N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine?
N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine has a molecular weight of 335.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine is sourced from PubChem (CID 134815486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).