N-propyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide

C8H11F3N4O — CID 78984903

IUPACN-propyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cn[nH]n1
InChIInChI=1S/C8H11F3N4O/c1-2-3-15(5-8(9,10)11)7(16)6-4-12-14-13-6/h4H,2-3,5H2,1H3,(H,12,13,14)
InChIKeyATZKHNRLFGALPF-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.22
Rot. Bonds4

About N-propyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide

N-propyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide (PubChem CID 78984903) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is N-propyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-propyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
PubChem CID78984903
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC NameN-propyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cn[nH]n1
InChIInChI=1S/C8H11F3N4O/c1-2-3-15(5-8(9,10)11)7(16)6-4-12-14-13-6/h4H,2-3,5H2,1H3,(H,12,13,14)
InChIKeyATZKHNRLFGALPF-UHFFFAOYSA-N
XLogP1.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide (CID 78984903) is N-propyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-propyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-propyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide is CCCN(CC(F)(F)F)C(=O)c1cn[nH]n1.
What is the InChIKey of N-propyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide?
The InChIKey is ATZKHNRLFGALPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-2-3-15(5-8(9,10)11)7(16)6-4-12-14-13-6/h4H,2-3,5H2,1H3,(H,12,13,14).
What are the key properties of N-propyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide?
N-propyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide has a molecular weight of 236.20 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 78984903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).