6-(4-morpholin-4-ylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C21H20N6O — CID 118711865

IUPAC6-(4-morpholin-4-ylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESc1cc(Nc2ncnn3cc(-c4ccc(N5CCOCC5)cc4)cc23)ccn1
InChIInChI=1S/C21H20N6O/c1-3-19(26-9-11-28-12-10-26)4-2-16(1)17-13-20-21(23-15-24-27(20)14-17)25-18-5-7-22-8-6-18/h1-8,13-15H,9-12H2,(H,22,23,24,25)
InChIKeyZPVHTHDMYBCSQZ-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.37
Rot. Bonds4

About 6-(4-morpholin-4-ylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

6-(4-morpholin-4-ylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 118711865) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-(4-morpholin-4-ylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name6-(4-morpholin-4-ylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID118711865
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name6-(4-morpholin-4-ylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESc1cc(Nc2ncnn3cc(-c4ccc(N5CCOCC5)cc4)cc23)ccn1
InChIInChI=1S/C21H20N6O/c1-3-19(26-9-11-28-12-10-26)4-2-16(1)17-13-20-21(23-15-24-27(20)14-17)25-18-5-7-22-8-6-18/h1-8,13-15H,9-12H2,(H,22,23,24,25)
InChIKeyZPVHTHDMYBCSQZ-UHFFFAOYSA-N
XLogP3.37
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-morpholin-4-ylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 6-(4-morpholin-4-ylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 118711865) is 6-(4-morpholin-4-ylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 6-(4-morpholin-4-ylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 6-(4-morpholin-4-ylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is c1cc(Nc2ncnn3cc(-c4ccc(N5CCOCC5)cc4)cc23)ccn1.
What is the InChIKey of 6-(4-morpholin-4-ylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is ZPVHTHDMYBCSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-3-19(26-9-11-28-12-10-26)4-2-16(1)17-13-20-21(23-15-24-27(20)14-17)25-18-5-7-22-8-6-18/h1-8,13-15H,9-12H2,(H,22,23,24,25).
What are the key properties of 6-(4-morpholin-4-ylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
6-(4-morpholin-4-ylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 372.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-morpholin-4-ylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 118711865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).