1-(2-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine

C9H7FN4 — CID 71819884

IUPAC1-(2-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
SMILESFc1ccccc1C=Nc1ncn[nH]1
InChIInChI=1S/C9H7FN4/c10-8-4-2-1-3-7(8)5-11-9-12-6-13-14-9/h1-6H,(H,12,13,14)
InChIKeyFSPUMWZOZLRXDH-UHFFFAOYSA-N
MW190.18 g/mol
LogP1.69
Rot. Bonds2

About 1-(2-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine

1-(2-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine (PubChem CID 71819884) has the molecular formula C9H7FN4 and a molecular weight of 190.18 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
PubChem CID71819884
Molecular FormulaC9H7FN4
Molecular Weight190.18 g/mol
Exact Mass190.07
IUPAC Name1-(2-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
SMILESFc1ccccc1C=Nc1ncn[nH]1
InChIInChI=1S/C9H7FN4/c10-8-4-2-1-3-7(8)5-11-9-12-6-13-14-9/h1-6H,(H,12,13,14)
InChIKeyFSPUMWZOZLRXDH-UHFFFAOYSA-N
XLogP1.69
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
The IUPAC name of 1-(2-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine (CID 71819884) is 1-(2-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine is Fc1ccccc1C=Nc1ncn[nH]1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
The InChIKey is FSPUMWZOZLRXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4/c10-8-4-2-1-3-7(8)5-11-9-12-6-13-14-9/h1-6H,(H,12,13,14).
What are the key properties of 1-(2-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
1-(2-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine has a molecular weight of 190.18 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine is sourced from PubChem (CID 71819884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).