4-(2-fluoro-4-nitrophenoxy)-6-methoxy-5-methylpyrrolo[2,1-f][1,2,4]triazine

C14H11FN4O4 — CID 21081653

IUPAC4-(2-fluoro-4-nitrophenoxy)-6-methoxy-5-methylpyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1cn2ncnc(Oc3ccc([N+](=O)[O-])cc3F)c2c1C
InChIInChI=1S/C14H11FN4O4/c1-8-12(22-2)6-18-13(8)14(16-7-17-18)23-11-4-3-9(19(20)21)5-10(11)15/h3-7H,1-2H3
InChIKeyGMCZGWRGTAEYRT-UHFFFAOYSA-N
MW318.26 g/mol
LogP2.89
Rot. Bonds4

About 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-5-methylpyrrolo[2,1-f][1,2,4]triazine

4-(2-fluoro-4-nitrophenoxy)-6-methoxy-5-methylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 21081653) has the molecular formula C14H11FN4O4 and a molecular weight of 318.26 g/mol. Its IUPAC name is 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-5-methylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-(2-fluoro-4-nitrophenoxy)-6-methoxy-5-methylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID21081653
Molecular FormulaC14H11FN4O4
Molecular Weight318.26 g/mol
Exact Mass318.08
IUPAC Name4-(2-fluoro-4-nitrophenoxy)-6-methoxy-5-methylpyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1cn2ncnc(Oc3ccc([N+](=O)[O-])cc3F)c2c1C
InChIInChI=1S/C14H11FN4O4/c1-8-12(22-2)6-18-13(8)14(16-7-17-18)23-11-4-3-9(19(20)21)5-10(11)15/h3-7H,1-2H3
InChIKeyGMCZGWRGTAEYRT-UHFFFAOYSA-N
XLogP2.89
TPSA91.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-5-methylpyrrolo[2,1-f][1,2,4]triazine 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

4-(2-fluoro-4-nitrophenoxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-ol
CID 21081646
5-chloro-4-(2-fluoro-4-nitrophenoxy)pyrrolo[2,1-f][1,2,4]triazine
CID 21081699
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
N-[3-fluoro-4-[5-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]-3-nitrobenzamide
CID 11628154
4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine
CID 143321178
4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine
CID 63734189
[4-(2-fluoro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80921201
ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline
CID 143647632
4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline
CID 134392084
1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
CID 101232592
4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80870869
3-chloro-4-(2-fluoro-4-nitrophenoxy)-1,2,5-thiadiazole
CID 54915723

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-5-methylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-5-methylpyrrolo[2,1-f][1,2,4]triazine (CID 21081653) is 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-5-methylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-5-methylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-5-methylpyrrolo[2,1-f][1,2,4]triazine is COc1cn2ncnc(Oc3ccc([N+](=O)[O-])cc3F)c2c1C.
What is the InChIKey of 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-5-methylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is GMCZGWRGTAEYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O4/c1-8-12(22-2)6-18-13(8)14(16-7-17-18)23-11-4-3-9(19(20)21)5-10(11)15/h3-7H,1-2H3.
What are the key properties of 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-5-methylpyrrolo[2,1-f][1,2,4]triazine?
4-(2-fluoro-4-nitrophenoxy)-6-methoxy-5-methylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 318.26 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-5-methylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 21081653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).