2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,2,4-triazol-3-amine

C10H13F3N6 — CID 86795179

IUPAC2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,2,4-triazol-3-amine
SMILESCc1nc(NCc2nccn2CC(F)(F)F)n(C)n1
InChIInChI=1S/C10H13F3N6/c1-7-16-9(18(2)17-7)15-5-8-14-3-4-19(8)6-10(11,12)13/h3-4H,5-6H2,1-2H3,(H,15,16,17)
InChIKeyMDVQMARVNGTFSQ-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.49
Rot. Bonds4

About 2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,2,4-triazol-3-amine

2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,2,4-triazol-3-amine (PubChem CID 86795179) has the molecular formula C10H13F3N6 and a molecular weight of 274.25 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,2,4-triazol-3-amine
PubChem CID86795179
Molecular FormulaC10H13F3N6
Molecular Weight274.25 g/mol
Exact Mass274.12
IUPAC Name2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,2,4-triazol-3-amine
SMILESCc1nc(NCc2nccn2CC(F)(F)F)n(C)n1
InChIInChI=1S/C10H13F3N6/c1-7-16-9(18(2)17-7)15-5-8-14-3-4-19(8)6-10(11,12)13/h3-4H,5-6H2,1-2H3,(H,15,16,17)
InChIKeyMDVQMARVNGTFSQ-UHFFFAOYSA-N
XLogP1.49
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,2,4-triazol-3-amine (CID 86795179) is 2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,2,4-triazol-3-amine is Cc1nc(NCc2nccn2CC(F)(F)F)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,2,4-triazol-3-amine?
The InChIKey is MDVQMARVNGTFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N6/c1-7-16-9(18(2)17-7)15-5-8-14-3-4-19(8)6-10(11,12)13/h3-4H,5-6H2,1-2H3,(H,15,16,17).
What are the key properties of 2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,2,4-triazol-3-amine?
2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,2,4-triazol-3-amine has a molecular weight of 274.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 86795179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).