5-methyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine

C6H9F3N4O — CID 79542302

IUPAC5-methyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine
SMILESCc1c(N)nnn1CCOC(F)(F)F
InChIInChI=1S/C6H9F3N4O/c1-4-5(10)11-12-13(4)2-3-14-6(7,8)9/h2-3,10H2,1H3
InChIKeyCNOAXNAYUYJBEB-UHFFFAOYSA-N
MW210.16 g/mol
LogP0.71
Rot. Bonds3

About 5-methyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine

5-methyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine (PubChem CID 79542302) has the molecular formula C6H9F3N4O and a molecular weight of 210.16 g/mol. Its IUPAC name is 5-methyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine
PubChem CID79542302
Molecular FormulaC6H9F3N4O
Molecular Weight210.16 g/mol
Exact Mass210.07
IUPAC Name5-methyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine
SMILESCc1c(N)nnn1CCOC(F)(F)F
InChIInChI=1S/C6H9F3N4O/c1-4-5(10)11-12-13(4)2-3-14-6(7,8)9/h2-3,10H2,1H3
InChIKeyCNOAXNAYUYJBEB-UHFFFAOYSA-N
XLogP0.71
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine?
The IUPAC name of 5-methyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine (CID 79542302) is 5-methyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine.
What is the SMILES notation for 5-methyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine?
The canonical SMILES for 5-methyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine is Cc1c(N)nnn1CCOC(F)(F)F.
What is the InChIKey of 5-methyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine?
The InChIKey is CNOAXNAYUYJBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4O/c1-4-5(10)11-12-13(4)2-3-14-6(7,8)9/h2-3,10H2,1H3.
What are the key properties of 5-methyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine?
5-methyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine has a molecular weight of 210.16 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine is sourced from PubChem (CID 79542302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).