1-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-amine

C13H11F3N6 — CID 118870083

IUPAC1-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-amine
SMILESNc1nccn1Cc1cn(-c2ccc(F)c(C(F)F)c2)nn1
InChIInChI=1S/C13H11F3N6/c14-11-2-1-9(5-10(11)12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18)
InChIKeyUZRIQFGTVHJEPZ-UHFFFAOYSA-N
MW308.27 g/mol
LogP2.17
Rot. Bonds4

About 1-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-amine

1-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-amine (PubChem CID 118870083) has the molecular formula C13H11F3N6 and a molecular weight of 308.27 g/mol. Its IUPAC name is 1-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-amine
PubChem CID118870083
Molecular FormulaC13H11F3N6
Molecular Weight308.27 g/mol
Exact Mass308.10
IUPAC Name1-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-amine
SMILESNc1nccn1Cc1cn(-c2ccc(F)c(C(F)F)c2)nn1
InChIInChI=1S/C13H11F3N6/c14-11-2-1-9(5-10(11)12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18)
InChIKeyUZRIQFGTVHJEPZ-UHFFFAOYSA-N
XLogP2.17
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-amine?
The IUPAC name of 1-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-amine (CID 118870083) is 1-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-amine.
What is the SMILES notation for 1-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-amine?
The canonical SMILES for 1-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-amine is Nc1nccn1Cc1cn(-c2ccc(F)c(C(F)F)c2)nn1.
What is the InChIKey of 1-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-amine?
The InChIKey is UZRIQFGTVHJEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N6/c14-11-2-1-9(5-10(11)12(15)16)22-7-8(19-20-22)6-21-4-3-18-13(21)17/h1-5,7,12H,6H2,(H2,17,18).
What are the key properties of 1-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-amine?
1-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-amine has a molecular weight of 308.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-amine is sourced from PubChem (CID 118870083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).