3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide

C7H10F3N5O — CID 62792678

IUPAC3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C7H10F3N5O/c1-2-15(3-7(8,9)10)5(16)4-12-6(11)14-13-4/h2-3H2,1H3,(H3,11,12,13,14)
InChIKeyFBRQTZQUIXHNCN-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.41
Rot. Bonds3

About 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62792678) has the molecular formula C7H10F3N5O and a molecular weight of 237.18 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62792678
Molecular FormulaC7H10F3N5O
Molecular Weight237.18 g/mol
Exact Mass237.08
IUPAC Name3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C7H10F3N5O/c1-2-15(3-7(8,9)10)5(16)4-12-6(11)14-13-4/h2-3H2,1H3,(H3,11,12,13,14)
InChIKeyFBRQTZQUIXHNCN-UHFFFAOYSA-N
XLogP0.41
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide (CID 62792678) is 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide is CCN(CC(F)(F)F)C(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is FBRQTZQUIXHNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N5O/c1-2-15(3-7(8,9)10)5(16)4-12-6(11)14-13-4/h2-3H2,1H3,(H3,11,12,13,14).
What are the key properties of 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 237.18 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62792678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).