5-amino-2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

C10H9F2N5O — CID 61117794

IUPAC5-amino-2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESNc1cc(C(=O)NCc2ncn[nH]2)c(F)cc1F
InChIInChI=1S/C10H9F2N5O/c11-6-2-7(12)8(13)1-5(6)10(18)14-3-9-15-4-16-17-9/h1-2,4H,3,13H2,(H,14,18)(H,15,16,17)
InChIKeyFCJRRTVVRFHJFG-UHFFFAOYSA-N
MW253.21 g/mol
LogP0.60
Rot. Bonds3

About 5-amino-2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

5-amino-2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (PubChem CID 61117794) has the molecular formula C10H9F2N5O and a molecular weight of 253.21 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
PubChem CID61117794
Molecular FormulaC10H9F2N5O
Molecular Weight253.21 g/mol
Exact Mass253.08
IUPAC Name5-amino-2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESNc1cc(C(=O)NCc2ncn[nH]2)c(F)cc1F
InChIInChI=1S/C10H9F2N5O/c11-6-2-7(12)8(13)1-5(6)10(18)14-3-9-15-4-16-17-9/h1-2,4H,3,13H2,(H,14,18)(H,15,16,17)
InChIKeyFCJRRTVVRFHJFG-UHFFFAOYSA-N
XLogP0.60
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide 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-amino-4-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 79719718
2-amino-4,5-dimethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 61118251
2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 113227599
3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64525878
2-amino-4,5-difluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64518550
5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide
CID 106894546
3-bromo-4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 113244827
2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883628
3-amino-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 115549169
5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide
CID 61095317
3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 107121133
3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883677

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (CID 61117794) is 5-amino-2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is Nc1cc(C(=O)NCc2ncn[nH]2)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The InChIKey is FCJRRTVVRFHJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N5O/c11-6-2-7(12)8(13)1-5(6)10(18)14-3-9-15-4-16-17-9/h1-2,4H,3,13H2,(H,14,18)(H,15,16,17).
What are the key properties of 5-amino-2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
5-amino-2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide has a molecular weight of 253.21 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is sourced from PubChem (CID 61117794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).