N-propan-2-yl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]methyl]benzamide

C19H18F3N5O — CID 167878540

IUPACN-propan-2-yl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]methyl]benzamide
SMILESCC(C)NC(=O)c1ccccc1Cn1cc(-c2cccc(C(F)(F)F)n2)nn1
InChIInChI=1S/C19H18F3N5O/c1-12(2)23-18(28)14-7-4-3-6-13(14)10-27-11-16(25-26-27)15-8-5-9-17(24-15)19(20,21)22/h3-9,11-12H,10H2,1-2H3,(H,23,28)
InChIKeyILEQNKNHBFNKDL-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.55
Rot. Bonds5

About N-propan-2-yl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]methyl]benzamide

N-propan-2-yl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]methyl]benzamide (PubChem CID 167878540) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is N-propan-2-yl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]methyl]benzamide
PubChem CID167878540
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC NameN-propan-2-yl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]methyl]benzamide
SMILESCC(C)NC(=O)c1ccccc1Cn1cc(-c2cccc(C(F)(F)F)n2)nn1
InChIInChI=1S/C19H18F3N5O/c1-12(2)23-18(28)14-7-4-3-6-13(14)10-27-11-16(25-26-27)15-8-5-9-17(24-15)19(20,21)22/h3-9,11-12H,10H2,1-2H3,(H,23,28)
InChIKeyILEQNKNHBFNKDL-UHFFFAOYSA-N
XLogP3.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]methyl]benzamide?
The IUPAC name of N-propan-2-yl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]methyl]benzamide (CID 167878540) is N-propan-2-yl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]methyl]benzamide.
What is the SMILES notation for N-propan-2-yl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]methyl]benzamide?
The canonical SMILES for N-propan-2-yl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]methyl]benzamide is CC(C)NC(=O)c1ccccc1Cn1cc(-c2cccc(C(F)(F)F)n2)nn1.
What is the InChIKey of N-propan-2-yl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]methyl]benzamide?
The InChIKey is ILEQNKNHBFNKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c1-12(2)23-18(28)14-7-4-3-6-13(14)10-27-11-16(25-26-27)15-8-5-9-17(24-15)19(20,21)22/h3-9,11-12H,10H2,1-2H3,(H,23,28).
What are the key properties of N-propan-2-yl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]methyl]benzamide?
N-propan-2-yl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]methyl]benzamide has a molecular weight of 389.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]methyl]benzamide is sourced from PubChem (CID 167878540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).