5-(1H-imidazol-5-yl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine

C7H7F3N6 — CID 167933681

IUPAC5-(1H-imidazol-5-yl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine
SMILESFC(F)(F)CNc1n[nH]c(-c2cnc[nH]2)n1
InChIInChI=1S/C7H7F3N6/c8-7(9,10)2-12-6-14-5(15-16-6)4-1-11-3-13-4/h1,3H,2H2,(H,11,13)(H2,12,14,15,16)
InChIKeyDSKAEWIIHFDWAB-UHFFFAOYSA-N
MW232.17 g/mol
LogP1.17
Rot. Bonds3

About 5-(1H-imidazol-5-yl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine

5-(1H-imidazol-5-yl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine (PubChem CID 167933681) has the molecular formula C7H7F3N6 and a molecular weight of 232.17 g/mol. Its IUPAC name is 5-(1H-imidazol-5-yl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(1H-imidazol-5-yl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine
PubChem CID167933681
Molecular FormulaC7H7F3N6
Molecular Weight232.17 g/mol
Exact Mass232.07
IUPAC Name5-(1H-imidazol-5-yl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine
SMILESFC(F)(F)CNc1n[nH]c(-c2cnc[nH]2)n1
InChIInChI=1S/C7H7F3N6/c8-7(9,10)2-12-6-14-5(15-16-6)4-1-11-3-13-4/h1,3H,2H2,(H,11,13)(H2,12,14,15,16)
InChIKeyDSKAEWIIHFDWAB-UHFFFAOYSA-N
XLogP1.17
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-5-yl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(1H-imidazol-5-yl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine (CID 167933681) is 5-(1H-imidazol-5-yl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(1H-imidazol-5-yl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(1H-imidazol-5-yl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine is FC(F)(F)CNc1n[nH]c(-c2cnc[nH]2)n1.
What is the InChIKey of 5-(1H-imidazol-5-yl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is DSKAEWIIHFDWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N6/c8-7(9,10)2-12-6-14-5(15-16-6)4-1-11-3-13-4/h1,3H,2H2,(H,11,13)(H2,12,14,15,16).
What are the key properties of 5-(1H-imidazol-5-yl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine?
5-(1H-imidazol-5-yl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 232.17 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-5-yl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 167933681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).