N'-[4-[2-(4-fluorophenyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanimidamide

C17H16FN5 — CID 23469726

IUPACN'-[4-[2-(4-fluorophenyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc(-c2ncnn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FN5/c1-22(2)12-20-15-7-3-13(4-8-15)17-19-11-21-23(17)16-9-5-14(18)6-10-16/h3-12H,1-2H3/b20-12+
InChIKeyUVFGQIPXSAGCIY-UDWIEESQSA-N
MW309.35 g/mol
LogP3.29
Rot. Bonds4

About N'-[4-[2-(4-fluorophenyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanimidamide

N'-[4-[2-(4-fluorophenyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanimidamide (PubChem CID 23469726) has the molecular formula C17H16FN5 and a molecular weight of 309.35 g/mol. Its IUPAC name is N'-[4-[2-(4-fluorophenyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[2-(4-fluorophenyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanimidamide
PubChem CID23469726
Molecular FormulaC17H16FN5
Molecular Weight309.35 g/mol
Exact Mass309.14
IUPAC NameN'-[4-[2-(4-fluorophenyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc(-c2ncnn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FN5/c1-22(2)12-20-15-7-3-13(4-8-15)17-19-11-21-23(17)16-9-5-14(18)6-10-16/h3-12H,1-2H3/b20-12+
InChIKeyUVFGQIPXSAGCIY-UDWIEESQSA-N
XLogP3.29
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[2-(4-fluorophenyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-[2-(4-fluorophenyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanimidamide (CID 23469726) is N'-[4-[2-(4-fluorophenyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-[2-(4-fluorophenyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-[2-(4-fluorophenyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1ccc(-c2ncnn2-c2ccc(F)cc2)cc1.
What is the InChIKey of N'-[4-[2-(4-fluorophenyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanimidamide?
The InChIKey is UVFGQIPXSAGCIY-UDWIEESQSA-N. The full InChI is InChI=1S/C17H16FN5/c1-22(2)12-20-15-7-3-13(4-8-15)17-19-11-21-23(17)16-9-5-14(18)6-10-16/h3-12H,1-2H3/b20-12+.
What are the key properties of N'-[4-[2-(4-fluorophenyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanimidamide?
N'-[4-[2-(4-fluorophenyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanimidamide has a molecular weight of 309.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[2-(4-fluorophenyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 23469726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).