N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide

C12H11F3N4O2 — CID 83090112

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1n[nH]c(NC(=O)Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H11F3N4O2/c1-21-11-17-10(18-19-11)16-9(20)6-7-3-2-4-8(5-7)12(13,14)15/h2-5H,6H2,1H3,(H2,16,17,18,19,20)
InChIKeyBDCFQFDFYXLNSJ-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.01
Rot. Bonds4

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 83090112) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID83090112
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1n[nH]c(NC(=O)Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H11F3N4O2/c1-21-11-17-10(18-19-11)16-9(20)6-7-3-2-4-8(5-7)12(13,14)15/h2-5H,6H2,1H3,(H2,16,17,18,19,20)
InChIKeyBDCFQFDFYXLNSJ-UHFFFAOYSA-N
XLogP2.01
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 83090112) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is COc1n[nH]c(NC(=O)Cc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BDCFQFDFYXLNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-21-11-17-10(18-19-11)16-9(20)6-7-3-2-4-8(5-7)12(13,14)15/h2-5H,6H2,1H3,(H2,16,17,18,19,20).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 300.24 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 83090112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).