3-fluoro-2-[4-[(5-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol

C9H11FN6O3 — CID 90022079

IUPAC3-fluoro-2-[4-[(5-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol
SMILESO=[N+]([O-])c1cncn1Cc1cn(C(CO)CF)nn1
InChIInChI=1S/C9H11FN6O3/c10-1-8(5-17)15-4-7(12-13-15)3-14-6-11-2-9(14)16(18)19/h2,4,6,8,17H,1,3,5H2
InChIKeyKZCZAHLZATUANW-UHFFFAOYSA-N
MW270.22 g/mol
LogP-0.07
Rot. Bonds6

About 3-fluoro-2-[4-[(5-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol

3-fluoro-2-[4-[(5-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol (PubChem CID 90022079) has the molecular formula C9H11FN6O3 and a molecular weight of 270.22 g/mol. Its IUPAC name is 3-fluoro-2-[4-[(5-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-fluoro-2-[4-[(5-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol
PubChem CID90022079
Molecular FormulaC9H11FN6O3
Molecular Weight270.22 g/mol
Exact Mass270.09
IUPAC Name3-fluoro-2-[4-[(5-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol
SMILESO=[N+]([O-])c1cncn1Cc1cn(C(CO)CF)nn1
InChIInChI=1S/C9H11FN6O3/c10-1-8(5-17)15-4-7(12-13-15)3-14-6-11-2-9(14)16(18)19/h2,4,6,8,17H,1,3,5H2
InChIKeyKZCZAHLZATUANW-UHFFFAOYSA-N
XLogP-0.07
TPSA111.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-fluoro-2-[4-[(5-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[4-[(5-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-fluoro-2-[4-[(5-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol (CID 90022079) is 3-fluoro-2-[4-[(5-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-fluoro-2-[4-[(5-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-fluoro-2-[4-[(5-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol is O=[N+]([O-])c1cncn1Cc1cn(C(CO)CF)nn1.
What is the InChIKey of 3-fluoro-2-[4-[(5-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is KZCZAHLZATUANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN6O3/c10-1-8(5-17)15-4-7(12-13-15)3-14-6-11-2-9(14)16(18)19/h2,4,6,8,17H,1,3,5H2.
What are the key properties of 3-fluoro-2-[4-[(5-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol?
3-fluoro-2-[4-[(5-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 270.22 g/mol, XLogP of -0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[4-[(5-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 90022079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).