2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide

C7H9F3N4O — CID 167264753

IUPAC2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESCC(C)C(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c1-3(2)4(15)11-6-12-5(13-14-6)7(8,9)10/h3H,1-2H3,(H2,11,12,13,14,15)
InChIKeyMGNNAGZBTKSBTO-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.42
Rot. Bonds2

About 2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide

2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide (PubChem CID 167264753) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
PubChem CID167264753
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESCC(C)C(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c1-3(2)4(15)11-6-12-5(13-14-6)7(8,9)10/h3H,1-2H3,(H2,11,12,13,14,15)
InChIKeyMGNNAGZBTKSBTO-UHFFFAOYSA-N
XLogP1.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide (CID 167264753) is 2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide is CC(C)C(=O)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The InChIKey is MGNNAGZBTKSBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-3(2)4(15)11-6-12-5(13-14-6)7(8,9)10/h3H,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide has a molecular weight of 222.17 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 167264753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).