3,5-bis(trifluoromethyl)-1,2,4-triazol-4-amine

C4H2F6N4 — CID 14296378

IUPAC3,5-bis(trifluoromethyl)-1,2,4-triazol-4-amine
SMILESNn1c(C(F)(F)F)nnc1C(F)(F)F
InChIInChI=1S/C4H2F6N4/c5-3(6,7)1-12-13-2(14(1)11)4(8,9)10/h11H2
InChIKeyZMFQTIZSANFKKQ-UHFFFAOYSA-N
MW220.08 g/mol
LogP1.03
Rot. Bonds

About 3,5-bis(trifluoromethyl)-1,2,4-triazol-4-amine

3,5-bis(trifluoromethyl)-1,2,4-triazol-4-amine (PubChem CID 14296378) has the molecular formula C4H2F6N4 and a molecular weight of 220.08 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)-1,2,4-triazol-4-amine
PubChem CID14296378
Molecular FormulaC4H2F6N4
Molecular Weight220.08 g/mol
Exact Mass220.02
IUPAC Name3,5-bis(trifluoromethyl)-1,2,4-triazol-4-amine
SMILESNn1c(C(F)(F)F)nnc1C(F)(F)F
InChIInChI=1S/C4H2F6N4/c5-3(6,7)1-12-13-2(14(1)11)4(8,9)10/h11H2
InChIKeyZMFQTIZSANFKKQ-UHFFFAOYSA-N
XLogP1.03
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.08
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-bis(trifluoromethyl)-1,2,4-triazol-4-amine (CID 14296378) is 3,5-bis(trifluoromethyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-bis(trifluoromethyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-bis(trifluoromethyl)-1,2,4-triazol-4-amine is Nn1c(C(F)(F)F)nnc1C(F)(F)F.
What is the InChIKey of 3,5-bis(trifluoromethyl)-1,2,4-triazol-4-amine?
The InChIKey is ZMFQTIZSANFKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6N4/c5-3(6,7)1-12-13-2(14(1)11)4(8,9)10/h11H2.
What are the key properties of 3,5-bis(trifluoromethyl)-1,2,4-triazol-4-amine?
3,5-bis(trifluoromethyl)-1,2,4-triazol-4-amine has a molecular weight of 220.08 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 14296378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).