7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

C21H20N4O3 — CID 56668417

IUPAC7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1cc(Nc2ncc3ccc(-c4ccccc4)n3n2)cc(OC)c1OC
InChIInChI=1S/C21H20N4O3/c1-26-18-11-15(12-19(27-2)20(18)28-3)23-21-22-13-16-9-10-17(25(16)24-21)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,24)
InChIKeyNRQSCGVAXSQZCR-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.17
Rot. Bonds6

About 7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 56668417) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID56668417
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1cc(Nc2ncc3ccc(-c4ccccc4)n3n2)cc(OC)c1OC
InChIInChI=1S/C21H20N4O3/c1-26-18-11-15(12-19(27-2)20(18)28-3)23-21-22-13-16-9-10-17(25(16)24-21)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,24)
InChIKeyNRQSCGVAXSQZCR-UHFFFAOYSA-N
XLogP4.17
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 56668417) is 7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is COc1cc(Nc2ncc3ccc(-c4ccccc4)n3n2)cc(OC)c1OC.
What is the InChIKey of 7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is NRQSCGVAXSQZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-26-18-11-15(12-19(27-2)20(18)28-3)23-21-22-13-16-9-10-17(25(16)24-21)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,24).
What are the key properties of 7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 376.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 56668417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).