N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide

C10H11FN8O3 — CID 119055840

IUPACN-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
SMILESCc1nn(C)c(F)c1/C=N/NC(=O)Cn1cnc([N+](=O)[O-])n1
InChIInChI=1S/C10H11FN8O3/c1-6-7(9(11)17(2)15-6)3-13-14-8(20)4-18-5-12-10(16-18)19(21)22/h3,5H,4H2,1-2H3,(H,14,20)/b13-3+
InChIKeyZRFLOXZPZFAFCO-QLKAYGNNSA-N
MW310.25 g/mol
LogP-0.48
Rot. Bonds5

About N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide

N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide (PubChem CID 119055840) has the molecular formula C10H11FN8O3 and a molecular weight of 310.25 g/mol. Its IUPAC name is N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
PubChem CID119055840
Molecular FormulaC10H11FN8O3
Molecular Weight310.25 g/mol
Exact Mass310.09
IUPAC NameN-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
SMILESCc1nn(C)c(F)c1/C=N/NC(=O)Cn1cnc([N+](=O)[O-])n1
InChIInChI=1S/C10H11FN8O3/c1-6-7(9(11)17(2)15-6)3-13-14-8(20)4-18-5-12-10(16-18)19(21)22/h3,5H,4H2,1-2H3,(H,14,20)/b13-3+
InChIKeyZRFLOXZPZFAFCO-QLKAYGNNSA-N
XLogP-0.48
TPSA133.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide 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 N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide (CID 119055840) is N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide is Cc1nn(C)c(F)c1/C=N/NC(=O)Cn1cnc([N+](=O)[O-])n1.
What is the InChIKey of N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide?
The InChIKey is ZRFLOXZPZFAFCO-QLKAYGNNSA-N. The full InChI is InChI=1S/C10H11FN8O3/c1-6-7(9(11)17(2)15-6)3-13-14-8(20)4-18-5-12-10(16-18)19(21)22/h3,5H,4H2,1-2H3,(H,14,20)/b13-3+.
What are the key properties of N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide?
N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide has a molecular weight of 310.25 g/mol, XLogP of -0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 119055840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).