N-[3-(trifluoromethyl)phenyl]triazol-2-amine

C9H7F3N4 — CID 152577416

IUPACN-[3-(trifluoromethyl)phenyl]triazol-2-amine
SMILESFC(F)(F)c1cccc(Nn2nccn2)c1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)7-2-1-3-8(6-7)15-16-13-4-5-14-16/h1-6,15H
InChIKeyYSTNFLUDFCAUTK-UHFFFAOYSA-N
MW228.18 g/mol
LogP2.17
Rot. Bonds2

About N-[3-(trifluoromethyl)phenyl]triazol-2-amine

N-[3-(trifluoromethyl)phenyl]triazol-2-amine (PubChem CID 152577416) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]triazol-2-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]triazol-2-amine
PubChem CID152577416
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC NameN-[3-(trifluoromethyl)phenyl]triazol-2-amine
SMILESFC(F)(F)c1cccc(Nn2nccn2)c1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)7-2-1-3-8(6-7)15-16-13-4-5-14-16/h1-6,15H
InChIKeyYSTNFLUDFCAUTK-UHFFFAOYSA-N
XLogP2.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
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N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-(trifluoromethyl)aniline
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N-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline
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1,3-bis[3-(trifluoromethyl)phenyl]thiourea
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N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
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2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]triazol-2-amine?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]triazol-2-amine (CID 152577416) is N-[3-(trifluoromethyl)phenyl]triazol-2-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]triazol-2-amine?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]triazol-2-amine is FC(F)(F)c1cccc(Nn2nccn2)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]triazol-2-amine?
The InChIKey is YSTNFLUDFCAUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c10-9(11,12)7-2-1-3-8(6-7)15-16-13-4-5-14-16/h1-6,15H.
What are the key properties of N-[3-(trifluoromethyl)phenyl]triazol-2-amine?
N-[3-(trifluoromethyl)phenyl]triazol-2-amine has a molecular weight of 228.18 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]triazol-2-amine is sourced from PubChem (CID 152577416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).