7-methoxy-2,4-dimethyl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine

C10H10F3N3O — CID 163274586

IUPAC7-methoxy-2,4-dimethyl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1cc(C(F)(F)F)c2c(C)nc(C)nn12
InChIInChI=1S/C10H10F3N3O/c1-5-9-7(10(11,12)13)4-8(17-3)16(9)15-6(2)14-5/h4H,1-3H3
InChIKeyFVRAGIPYGGQKDX-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.37
Rot. Bonds1

About 7-methoxy-2,4-dimethyl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine

7-methoxy-2,4-dimethyl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 163274586) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 7-methoxy-2,4-dimethyl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name7-methoxy-2,4-dimethyl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine
PubChem CID163274586
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name7-methoxy-2,4-dimethyl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1cc(C(F)(F)F)c2c(C)nc(C)nn12
InChIInChI=1S/C10H10F3N3O/c1-5-9-7(10(11,12)13)4-8(17-3)16(9)15-6(2)14-5/h4H,1-3H3
InChIKeyFVRAGIPYGGQKDX-UHFFFAOYSA-N
XLogP2.37
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,4-dimethyl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 7-methoxy-2,4-dimethyl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine (CID 163274586) is 7-methoxy-2,4-dimethyl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 7-methoxy-2,4-dimethyl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 7-methoxy-2,4-dimethyl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine is COc1cc(C(F)(F)F)c2c(C)nc(C)nn12.
What is the InChIKey of 7-methoxy-2,4-dimethyl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is FVRAGIPYGGQKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c1-5-9-7(10(11,12)13)4-8(17-3)16(9)15-6(2)14-5/h4H,1-3H3.
What are the key properties of 7-methoxy-2,4-dimethyl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine?
7-methoxy-2,4-dimethyl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 245.20 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,4-dimethyl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 163274586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).