5-(trifluoromethyl)-1H-imidazole-2,4-diamine

C4H5F3N4 — CID 69332688

IUPAC5-(trifluoromethyl)-1H-imidazole-2,4-diamine
SMILESNc1nc(N)c(C(F)(F)F)[nH]1
InChIInChI=1S/C4H5F3N4/c5-4(6,7)1-2(8)11-3(9)10-1/h8H2,(H3,9,10,11)
InChIKeyUZRJTCKYWMNOAK-UHFFFAOYSA-N
MW166.11 g/mol
LogP0.59
Rot. Bonds

About 5-(trifluoromethyl)-1H-imidazole-2,4-diamine

5-(trifluoromethyl)-1H-imidazole-2,4-diamine (PubChem CID 69332688) has the molecular formula C4H5F3N4 and a molecular weight of 166.11 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-imidazole-2,4-diamine.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-imidazole-2,4-diamine
PubChem CID69332688
Molecular FormulaC4H5F3N4
Molecular Weight166.11 g/mol
Exact Mass166.05
IUPAC Name5-(trifluoromethyl)-1H-imidazole-2,4-diamine
SMILESNc1nc(N)c(C(F)(F)F)[nH]1
InChIInChI=1S/C4H5F3N4/c5-4(6,7)1-2(8)11-3(9)10-1/h8H2,(H3,9,10,11)
InChIKeyUZRJTCKYWMNOAK-UHFFFAOYSA-N
XLogP0.59
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1H-imidazole-2,4-diamine?
The IUPAC name of 5-(trifluoromethyl)-1H-imidazole-2,4-diamine (CID 69332688) is 5-(trifluoromethyl)-1H-imidazole-2,4-diamine.
What is the SMILES notation for 5-(trifluoromethyl)-1H-imidazole-2,4-diamine?
The canonical SMILES for 5-(trifluoromethyl)-1H-imidazole-2,4-diamine is Nc1nc(N)c(C(F)(F)F)[nH]1.
What is the InChIKey of 5-(trifluoromethyl)-1H-imidazole-2,4-diamine?
The InChIKey is UZRJTCKYWMNOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3N4/c5-4(6,7)1-2(8)11-3(9)10-1/h8H2,(H3,9,10,11).
What are the key properties of 5-(trifluoromethyl)-1H-imidazole-2,4-diamine?
5-(trifluoromethyl)-1H-imidazole-2,4-diamine has a molecular weight of 166.11 g/mol, XLogP of 0.59, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1H-imidazole-2,4-diamine is sourced from PubChem (CID 69332688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).