3-N-methyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine

C5H8F3N5 — CID 66277515

IUPAC3-N-methyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCN(CC(F)(F)F)c1n[nH]c(N)n1
InChIInChI=1S/C5H8F3N5/c1-13(2-5(6,7)8)4-10-3(9)11-12-4/h2H2,1H3,(H3,9,10,11,12)
InChIKeyKAMOQYQLBQXSMF-UHFFFAOYSA-N
MW195.15 g/mol
LogP0.39
Rot. Bonds2

About 3-N-methyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine

3-N-methyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66277515) has the molecular formula C5H8F3N5 and a molecular weight of 195.15 g/mol. Its IUPAC name is 3-N-methyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID66277515
Molecular FormulaC5H8F3N5
Molecular Weight195.15 g/mol
Exact Mass195.07
IUPAC Name3-N-methyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCN(CC(F)(F)F)c1n[nH]c(N)n1
InChIInChI=1S/C5H8F3N5/c1-13(2-5(6,7)8)4-10-3(9)11-12-4/h2H2,1H3,(H3,9,10,11,12)
InChIKeyKAMOQYQLBQXSMF-UHFFFAOYSA-N
XLogP0.39
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-methyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine (CID 66277515) is 3-N-methyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-methyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine is CN(CC(F)(F)F)c1n[nH]c(N)n1.
What is the InChIKey of 3-N-methyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is KAMOQYQLBQXSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N5/c1-13(2-5(6,7)8)4-10-3(9)11-12-4/h2H2,1H3,(H3,9,10,11,12).
What are the key properties of 3-N-methyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine?
3-N-methyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 195.15 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66277515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).