2-(difluoromethyl)triazol-4-amine

C3H4F2N4 — CID 86684082

IUPAC2-(difluoromethyl)triazol-4-amine
SMILESNc1cnn(C(F)F)n1
InChIInChI=1S/C3H4F2N4/c4-3(5)9-7-1-2(6)8-9/h1,3H,(H2,6,8)
InChIKeyODCKUOAISPGOBJ-UHFFFAOYSA-N
MW134.09 g/mol
LogP0.26
Rot. Bonds1

About 2-(difluoromethyl)triazol-4-amine

2-(difluoromethyl)triazol-4-amine (PubChem CID 86684082) has the molecular formula C3H4F2N4 and a molecular weight of 134.09 g/mol. Its IUPAC name is 2-(difluoromethyl)triazol-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)triazol-4-amine
PubChem CID86684082
Molecular FormulaC3H4F2N4
Molecular Weight134.09 g/mol
Exact Mass134.04
IUPAC Name2-(difluoromethyl)triazol-4-amine
SMILESNc1cnn(C(F)F)n1
InChIInChI=1S/C3H4F2N4/c4-3(5)9-7-1-2(6)8-9/h1,3H,(H2,6,8)
InChIKeyODCKUOAISPGOBJ-UHFFFAOYSA-N
XLogP0.26
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.09
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)triazol-4-amine?
The IUPAC name of 2-(difluoromethyl)triazol-4-amine (CID 86684082) is 2-(difluoromethyl)triazol-4-amine.
What is the SMILES notation for 2-(difluoromethyl)triazol-4-amine?
The canonical SMILES for 2-(difluoromethyl)triazol-4-amine is Nc1cnn(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)triazol-4-amine?
The InChIKey is ODCKUOAISPGOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2N4/c4-3(5)9-7-1-2(6)8-9/h1,3H,(H2,6,8).
What are the key properties of 2-(difluoromethyl)triazol-4-amine?
2-(difluoromethyl)triazol-4-amine has a molecular weight of 134.09 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)triazol-4-amine is sourced from PubChem (CID 86684082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).