1-(difluoromethyl)-5-(1H-imidazol-5-yl)triazole

C6H5F2N5 — CID 165376979

IUPAC1-(difluoromethyl)-5-(1H-imidazol-5-yl)triazole
SMILESFC(F)n1nncc1-c1cnc[nH]1
InChIInChI=1S/C6H5F2N5/c7-6(8)13-5(2-11-12-13)4-1-9-3-10-4/h1-3,6H,(H,9,10)
InChIKeyNZYIUYAQJFJZGT-UHFFFAOYSA-N
MW185.14 g/mol
LogP1.06
Rot. Bonds2

About 1-(difluoromethyl)-5-(1H-imidazol-5-yl)triazole

1-(difluoromethyl)-5-(1H-imidazol-5-yl)triazole (PubChem CID 165376979) has the molecular formula C6H5F2N5 and a molecular weight of 185.14 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-(1H-imidazol-5-yl)triazole.

Molecular Properties

Compound Name1-(difluoromethyl)-5-(1H-imidazol-5-yl)triazole
PubChem CID165376979
Molecular FormulaC6H5F2N5
Molecular Weight185.14 g/mol
Exact Mass185.05
IUPAC Name1-(difluoromethyl)-5-(1H-imidazol-5-yl)triazole
SMILESFC(F)n1nncc1-c1cnc[nH]1
InChIInChI=1S/C6H5F2N5/c7-6(8)13-5(2-11-12-13)4-1-9-3-10-4/h1-3,6H,(H,9,10)
InChIKeyNZYIUYAQJFJZGT-UHFFFAOYSA-N
XLogP1.06
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-(1H-imidazol-5-yl)triazole?
The IUPAC name of 1-(difluoromethyl)-5-(1H-imidazol-5-yl)triazole (CID 165376979) is 1-(difluoromethyl)-5-(1H-imidazol-5-yl)triazole.
What is the SMILES notation for 1-(difluoromethyl)-5-(1H-imidazol-5-yl)triazole?
The canonical SMILES for 1-(difluoromethyl)-5-(1H-imidazol-5-yl)triazole is FC(F)n1nncc1-c1cnc[nH]1.
What is the InChIKey of 1-(difluoromethyl)-5-(1H-imidazol-5-yl)triazole?
The InChIKey is NZYIUYAQJFJZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N5/c7-6(8)13-5(2-11-12-13)4-1-9-3-10-4/h1-3,6H,(H,9,10).
What are the key properties of 1-(difluoromethyl)-5-(1H-imidazol-5-yl)triazole?
1-(difluoromethyl)-5-(1H-imidazol-5-yl)triazole has a molecular weight of 185.14 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-(1H-imidazol-5-yl)triazole is sourced from PubChem (CID 165376979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).