5-(difluoromethyl)-1H-1,2,4-triazol-3-amine

C3H4F2N4 — CID 24702356

IUPAC5-(difluoromethyl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C(F)F)n1
InChIInChI=1S/C3H4F2N4/c4-1(5)2-7-3(6)9-8-2/h1H,(H3,6,7,8,9)
InChIKeyAEQYPFRFKQHBER-UHFFFAOYSA-N
MW134.09 g/mol
LogP0.32
Rot. Bonds1

About 5-(difluoromethyl)-1H-1,2,4-triazol-3-amine

5-(difluoromethyl)-1H-1,2,4-triazol-3-amine (PubChem CID 24702356) has the molecular formula C3H4F2N4 and a molecular weight of 134.09 g/mol. Its IUPAC name is 5-(difluoromethyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-1H-1,2,4-triazol-3-amine
PubChem CID24702356
Molecular FormulaC3H4F2N4
Molecular Weight134.09 g/mol
Exact Mass134.04
IUPAC Name5-(difluoromethyl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C(F)F)n1
InChIInChI=1S/C3H4F2N4/c4-1(5)2-7-3(6)9-8-2/h1H,(H3,6,7,8,9)
InChIKeyAEQYPFRFKQHBER-UHFFFAOYSA-N
XLogP0.32
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.09
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(difluoromethyl)-1H-1,2,4-triazol-3-amine (CID 24702356) is 5-(difluoromethyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(difluoromethyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(difluoromethyl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(C(F)F)n1.
What is the InChIKey of 5-(difluoromethyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is AEQYPFRFKQHBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2N4/c4-1(5)2-7-3(6)9-8-2/h1H,(H3,6,7,8,9).
What are the key properties of 5-(difluoromethyl)-1H-1,2,4-triazol-3-amine?
5-(difluoromethyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 134.09 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 24702356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).