N-methyl-N-phenyl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)pyridin-2-amine

C14H11F3N6 — CID 71719134

IUPACN-methyl-N-phenyl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCN(c1ccccc1)c1nc(C(F)(F)F)ccc1-c1nn[nH]n1
InChIInChI=1S/C14H11F3N6/c1-23(9-5-3-2-4-6-9)13-10(12-19-21-22-20-12)7-8-11(18-13)14(15,16)17/h2-8H,1H3,(H,19,20,21,22)
InChIKeyPCTGAUDYPGOBIH-UHFFFAOYSA-N
MW320.28 g/mol
LogP3.05
Rot. Bonds3

About N-methyl-N-phenyl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)pyridin-2-amine

N-methyl-N-phenyl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 71719134) has the molecular formula C14H11F3N6 and a molecular weight of 320.28 g/mol. Its IUPAC name is N-methyl-N-phenyl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-phenyl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID71719134
Molecular FormulaC14H11F3N6
Molecular Weight320.28 g/mol
Exact Mass320.10
IUPAC NameN-methyl-N-phenyl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCN(c1ccccc1)c1nc(C(F)(F)F)ccc1-c1nn[nH]n1
InChIInChI=1S/C14H11F3N6/c1-23(9-5-3-2-4-6-9)13-10(12-19-21-22-20-12)7-8-11(18-13)14(15,16)17/h2-8H,1H3,(H,19,20,21,22)
InChIKeyPCTGAUDYPGOBIH-UHFFFAOYSA-N
XLogP3.05
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-N-phenyl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)pyridin-2-amine (CID 71719134) is N-methyl-N-phenyl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-N-phenyl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-N-phenyl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)pyridin-2-amine is CN(c1ccccc1)c1nc(C(F)(F)F)ccc1-c1nn[nH]n1.
What is the InChIKey of N-methyl-N-phenyl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PCTGAUDYPGOBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6/c1-23(9-5-3-2-4-6-9)13-10(12-19-21-22-20-12)7-8-11(18-13)14(15,16)17/h2-8H,1H3,(H,19,20,21,22).
What are the key properties of N-methyl-N-phenyl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)pyridin-2-amine?
N-methyl-N-phenyl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 320.28 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 71719134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).