2-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarboximidamide

C10H10FN5 — CID 107118050

IUPAC2-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Cn2cncn2)c1F
InChIInChI=1S/C10H10FN5/c11-9-7(4-16-6-14-5-15-16)2-1-3-8(9)10(12)13/h1-3,5-6H,4H2,(H3,12,13)
InChIKeyWJZZJZDATFBZKP-UHFFFAOYSA-N
MW219.22 g/mol
LogP0.75
Rot. Bonds3

About 2-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarboximidamide

2-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarboximidamide (PubChem CID 107118050) has the molecular formula C10H10FN5 and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarboximidamide
PubChem CID107118050
Molecular FormulaC10H10FN5
Molecular Weight219.22 g/mol
Exact Mass219.09
IUPAC Name2-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Cn2cncn2)c1F
InChIInChI=1S/C10H10FN5/c11-9-7(4-16-6-14-5-15-16)2-1-3-8(9)10(12)13/h1-3,5-6H,4H2,(H3,12,13)
InChIKeyWJZZJZDATFBZKP-UHFFFAOYSA-N
XLogP0.75
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

2-fluoro-3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzenecarboximidamide
CID 107118062
2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenecarboximidamide
CID 24698268
2-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarboximidamide
CID 107118452
3-(tert-butylsulfanylmethyl)-2-fluorobenzenecarboximidamide
CID 107118462
2-fluoro-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 107117747
3-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide
CID 107117878
2-fluoro-3-(3-hydroxypropylsulfanylmethyl)benzenecarboximidamide
CID 107118516
3-[(3,3-diethylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide
CID 107117979
3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide
CID 107110466
2-fluoro-3-[(N-methylanilino)methyl]benzenecarboximidamide
CID 107117715
3-[(dipropylamino)methyl]-2-fluorobenzenecarboximidamide
CID 107117720
2-fluoro-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]benzenecarboximidamide
CID 107786071

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarboximidamide?
The IUPAC name of 2-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarboximidamide (CID 107118050) is 2-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarboximidamide is [H]/N=C(\N)c1cccc(Cn2cncn2)c1F.
What is the InChIKey of 2-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarboximidamide?
The InChIKey is WJZZJZDATFBZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5/c11-9-7(4-16-6-14-5-15-16)2-1-3-8(9)10(12)13/h1-3,5-6H,4H2,(H3,12,13).
What are the key properties of 2-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarboximidamide?
2-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarboximidamide has a molecular weight of 219.22 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 107118050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).