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

C6H7F3N4O — CID 2426810

IUPACN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESCCC(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C6H7F3N4O/c1-2-3(14)10-5-11-4(12-13-5)6(7,8)9/h2H2,1H3,(H2,10,11,12,13,14)
InChIKeyLAZHDXZHWKGETL-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.17
Rot. Bonds2

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

N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide (PubChem CID 2426810) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
PubChem CID2426810
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC NameN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESCCC(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C6H7F3N4O/c1-2-3(14)10-5-11-4(12-13-5)6(7,8)9/h2H2,1H3,(H2,10,11,12,13,14)
InChIKeyLAZHDXZHWKGETL-UHFFFAOYSA-N
XLogP1.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide (CID 2426810) is N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide is CCC(=O)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The InChIKey is LAZHDXZHWKGETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c1-2-3(14)10-5-11-4(12-13-5)6(7,8)9/h2H2,1H3,(H2,10,11,12,13,14).
What are the key properties of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide has a molecular weight of 208.14 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 2426810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).