4-[2-chloro-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]morpholine

C11H10ClF3N4O — CID 147061200

IUPAC4-[2-chloro-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]morpholine
SMILESFC(F)(F)c1ccc2c(N3CCOCC3)nc(Cl)nn12
InChIInChI=1S/C11H10ClF3N4O/c12-10-16-9(18-3-5-20-6-4-18)7-1-2-8(11(13,14)15)19(7)17-10/h1-2H,3-6H2
InChIKeyBDFBULKDKJTRTL-UHFFFAOYSA-N
MW306.68 g/mol
LogP2.24
Rot. Bonds1

About 4-[2-chloro-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]morpholine

4-[2-chloro-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]morpholine (PubChem CID 147061200) has the molecular formula C11H10ClF3N4O and a molecular weight of 306.68 g/mol. Its IUPAC name is 4-[2-chloro-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]morpholine
PubChem CID147061200
Molecular FormulaC11H10ClF3N4O
Molecular Weight306.68 g/mol
Exact Mass306.05
IUPAC Name4-[2-chloro-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]morpholine
SMILESFC(F)(F)c1ccc2c(N3CCOCC3)nc(Cl)nn12
InChIInChI=1S/C11H10ClF3N4O/c12-10-16-9(18-3-5-20-6-4-18)7-1-2-8(11(13,14)15)19(7)17-10/h1-2H,3-6H2
InChIKeyBDFBULKDKJTRTL-UHFFFAOYSA-N
XLogP2.24
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.68
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-chloro-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]morpholine 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-(2,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine
CID 145420374
2-[2-(4-aminophenyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]propan-2-ol
CID 145420416
(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol
CID 71299202
2-chloro-4-morpholin-4-ylquinazolin-7-ol
CID 137308981
4-(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)morpholine
CID 168922552
4-(2,6-dichlorothieno[2,3-d]pyrimidin-4-yl)morpholine
CID 86624262
4-(2-chloro-7-methylsulfonylpyrrolo[2,3-h]quinazolin-4-yl)morpholine
CID 86634154
4-[7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-yl]morpholine
CID 20874488
2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 10244167
4-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)-1,4-oxazepane
CID 166162600
4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)morpholine
CID 170626595
2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79876922

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]morpholine?
The IUPAC name of 4-[2-chloro-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]morpholine (CID 147061200) is 4-[2-chloro-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]morpholine?
The canonical SMILES for 4-[2-chloro-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]morpholine is FC(F)(F)c1ccc2c(N3CCOCC3)nc(Cl)nn12.
What is the InChIKey of 4-[2-chloro-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]morpholine?
The InChIKey is BDFBULKDKJTRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4O/c12-10-16-9(18-3-5-20-6-4-18)7-1-2-8(11(13,14)15)19(7)17-10/h1-2H,3-6H2.
What are the key properties of 4-[2-chloro-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]morpholine?
4-[2-chloro-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]morpholine has a molecular weight of 306.68 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]morpholine is sourced from PubChem (CID 147061200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).