N-[4-methoxy-2-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide

C11H9F3N4O2 — CID 47382095

IUPACN-[4-methoxy-2-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn[nH]n2)c(C(F)(F)F)c1
InChIInChI=1S/C11H9F3N4O2/c1-20-6-2-3-8(7(4-6)11(12,13)14)16-10(19)9-5-15-18-17-9/h2-5H,1H3,(H,16,19)(H,15,17,18)
InChIKeyUSDGXSZFZYVROR-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.08
Rot. Bonds3

About N-[4-methoxy-2-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide

N-[4-methoxy-2-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 47382095) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is N-[4-methoxy-2-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-2-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
PubChem CID47382095
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC NameN-[4-methoxy-2-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn[nH]n2)c(C(F)(F)F)c1
InChIInChI=1S/C11H9F3N4O2/c1-20-6-2-3-8(7(4-6)11(12,13)14)16-10(19)9-5-15-18-17-9/h2-5H,1H3,(H,16,19)(H,15,17,18)
InChIKeyUSDGXSZFZYVROR-UHFFFAOYSA-N
XLogP2.08
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-2-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[4-methoxy-2-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide (CID 47382095) is N-[4-methoxy-2-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[4-methoxy-2-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[4-methoxy-2-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide is COc1ccc(NC(=O)c2cn[nH]n2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-methoxy-2-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is USDGXSZFZYVROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c1-20-6-2-3-8(7(4-6)11(12,13)14)16-10(19)9-5-15-18-17-9/h2-5H,1H3,(H,16,19)(H,15,17,18).
What are the key properties of N-[4-methoxy-2-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
N-[4-methoxy-2-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 286.21 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-2-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 47382095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).