2,2-difluoro-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine

C5H8F2N4 — CID 119031866

IUPAC2,2-difluoro-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine
SMILESCc1nc(C(F)(F)CN)n[nH]1
InChIInChI=1S/C5H8F2N4/c1-3-9-4(11-10-3)5(6,7)2-8/h2,8H2,1H3,(H,9,10,11)
InChIKeyBWWZXCGQOMWURJ-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.16
Rot. Bonds2

About 2,2-difluoro-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine

2,2-difluoro-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine (PubChem CID 119031866) has the molecular formula C5H8F2N4 and a molecular weight of 162.14 g/mol. Its IUPAC name is 2,2-difluoro-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine
PubChem CID119031866
Molecular FormulaC5H8F2N4
Molecular Weight162.14 g/mol
Exact Mass162.07
IUPAC Name2,2-difluoro-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine
SMILESCc1nc(C(F)(F)CN)n[nH]1
InChIInChI=1S/C5H8F2N4/c1-3-9-4(11-10-3)5(6,7)2-8/h2,8H2,1H3,(H,9,10,11)
InChIKeyBWWZXCGQOMWURJ-UHFFFAOYSA-N
XLogP0.16
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 2,2-difluoro-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine (CID 119031866) is 2,2-difluoro-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine is Cc1nc(C(F)(F)CN)n[nH]1.
What is the InChIKey of 2,2-difluoro-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is BWWZXCGQOMWURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N4/c1-3-9-4(11-10-3)5(6,7)2-8/h2,8H2,1H3,(H,9,10,11).
What are the key properties of 2,2-difluoro-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine?
2,2-difluoro-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 162.14 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 119031866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).