5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine

C9H7F3N4 — CID 10823208

IUPAC5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)6-3-1-5(2-4-6)7-14-8(13)16-15-7/h1-4H,(H3,13,14,15,16)
InChIKeyOPCMOBZOGLGRKI-UHFFFAOYSA-N
MW228.18 g/mol
LogP2.07
Rot. Bonds1

About 5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine

5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine (PubChem CID 10823208) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine
PubChem CID10823208
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)6-3-1-5(2-4-6)7-14-8(13)16-15-7/h1-4H,(H3,13,14,15,16)
InChIKeyOPCMOBZOGLGRKI-UHFFFAOYSA-N
XLogP2.07
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Phenyl-4H-1,2,4-triazol-3-amine
CID 95778
1H-1,2,4-Triazole, 5-phenyl-
CID 18786
3,5-Diphenyl-1H-1,2,4-triazole
CID 16260
N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea
CID 222304
3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine
CID 691412
5-phenyl-3-prop-2-enylsulfanyl-1H-1,2,4-triazole
CID 2133314
3,5-Diphenyl-4H-1,2,4-triazol-4-amine
CID 229821
Mls003115328
CID 318161
5-(4-fluorophenyl)-4H-1,2,4-triazol-3-amine
CID 652295
5-(2-bromophenyl)-4H-1,2,4-triazol-3-amine
CID 2859280
5-(2-chlorophenyl)-4H-1,2,4-triazol-3-amine
CID 5064432
3-methyl-5-phenyl-1H-1,2,4-triazole
CID 594381

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine (CID 10823208) is 5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is OPCMOBZOGLGRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c10-9(11,12)6-3-1-5(2-4-6)7-14-8(13)16-15-7/h1-4H,(H3,13,14,15,16).
What are the key properties of 5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine?
5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 228.18 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 10823208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).