3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-4-amine

C13H9F3N6 — CID 135372219

IUPAC3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ccncc2-c2nn[nH]n2)cc1
InChIInChI=1S/C13H9F3N6/c14-13(15,16)8-1-3-9(4-2-8)18-11-5-6-17-7-10(11)12-19-21-22-20-12/h1-7H,(H,17,18)(H,19,20,21,22)
InChIKeyIUVCNMYNVOLLAA-UHFFFAOYSA-N
MW306.25 g/mol
LogP3.02
Rot. Bonds3

About 3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-4-amine

3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-4-amine (PubChem CID 135372219) has the molecular formula C13H9F3N6 and a molecular weight of 306.25 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-4-amine.

Molecular Properties

Compound Name3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-4-amine
PubChem CID135372219
Molecular FormulaC13H9F3N6
Molecular Weight306.25 g/mol
Exact Mass306.08
IUPAC Name3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ccncc2-c2nn[nH]n2)cc1
InChIInChI=1S/C13H9F3N6/c14-13(15,16)8-1-3-9(4-2-8)18-11-5-6-17-7-10(11)12-19-21-22-20-12/h1-7H,(H,17,18)(H,19,20,21,22)
InChIKeyIUVCNMYNVOLLAA-UHFFFAOYSA-N
XLogP3.02
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 135372289
2-[5-(2H-tetrazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 155224026
ethane;2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 142468341
N-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline
CID 125465468
5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
CID 157133438
1-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 170434313
N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 9404095
5-[3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
CID 159309326
N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 161110300
2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 154659659
3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 135372390
2-(2-pyrimidin-4-yltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 146402504

Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-4-amine?
The IUPAC name of 3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-4-amine (CID 135372219) is 3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-4-amine.
What is the SMILES notation for 3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-4-amine?
The canonical SMILES for 3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-4-amine is FC(F)(F)c1ccc(Nc2ccncc2-c2nn[nH]n2)cc1.
What is the InChIKey of 3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-4-amine?
The InChIKey is IUVCNMYNVOLLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N6/c14-13(15,16)8-1-3-9(4-2-8)18-11-5-6-17-7-10(11)12-19-21-22-20-12/h1-7H,(H,17,18)(H,19,20,21,22).
What are the key properties of 3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-4-amine?
3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-4-amine has a molecular weight of 306.25 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-4-amine is sourced from PubChem (CID 135372219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).