7-(morpholin-4-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C17H19N5O — CID 141191635

IUPAC7-(morpholin-4-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(CN3CCOCC3)cc(-c3ccccc3)c12
InChIInChI=1S/C17H19N5O/c18-17-16-15(13-4-2-1-3-5-13)10-14(22(16)20-12-19-17)11-21-6-8-23-9-7-21/h1-5,10,12H,6-9,11H2,(H2,18,19,20)
InChIKeyNJDNPQGSUCTZMI-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.81
Rot. Bonds3

About 7-(morpholin-4-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine

7-(morpholin-4-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 141191635) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 7-(morpholin-4-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-(morpholin-4-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID141191635
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name7-(morpholin-4-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(CN3CCOCC3)cc(-c3ccccc3)c12
InChIInChI=1S/C17H19N5O/c18-17-16-15(13-4-2-1-3-5-13)10-14(22(16)20-12-19-17)11-21-6-8-23-9-7-21/h1-5,10,12H,6-9,11H2,(H2,18,19,20)
InChIKeyNJDNPQGSUCTZMI-UHFFFAOYSA-N
XLogP1.81
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,5-difluorophenyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 141441545
4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]benzaldehyde
CID 89351147
1-[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-3-(3-iodo-4-methylphenyl)urea
CID 66827153
1-[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methylphenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 59231974
1-[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,5-difluorophenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 59232226
1-[4-[4-amino-7-(1,4-oxazepan-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-fluorophenyl]-1-(3-ethylphenyl)urea
CID 66589378
1-[4-[[4-amino-5-(4-amino-3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]piperazin-1-yl]ethanone
CID 59231992
5-(4-aminophenyl)-7-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 130447829
1-[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-fluorophenyl]-1-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 66589350
1-(4-amino-5-phenylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone
CID 141191652
1-[4-[[4-amino-5-(2-benzylindazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 58529503
5-phenyl-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 150755871

Frequently Asked Questions

What is the IUPAC name of 7-(morpholin-4-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-(morpholin-4-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 141191635) is 7-(morpholin-4-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-(morpholin-4-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-(morpholin-4-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(CN3CCOCC3)cc(-c3ccccc3)c12.
What is the InChIKey of 7-(morpholin-4-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is NJDNPQGSUCTZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c18-17-16-15(13-4-2-1-3-5-13)10-14(22(16)20-12-19-17)11-21-6-8-23-9-7-21/h1-5,10,12H,6-9,11H2,(H2,18,19,20).
What are the key properties of 7-(morpholin-4-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
7-(morpholin-4-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 309.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholin-4-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 141191635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).