5-phenyl-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C17H19N5 — CID 150755871

IUPAC5-phenyl-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(C3CCNCC3)cc(-c3ccccc3)c12
InChIInChI=1S/C17H19N5/c18-17-16-14(12-4-2-1-3-5-12)10-15(22(16)21-11-20-17)13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H2,18,20,21)
InChIKeyJWVFXFHPWQCYPV-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.45
Rot. Bonds2

About 5-phenyl-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

5-phenyl-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 150755871) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-phenyl-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-phenyl-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID150755871
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name5-phenyl-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(C3CCNCC3)cc(-c3ccccc3)c12
InChIInChI=1S/C17H19N5/c18-17-16-14(12-4-2-1-3-5-12)10-15(22(16)21-11-20-17)13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H2,18,20,21)
InChIKeyJWVFXFHPWQCYPV-UHFFFAOYSA-N
XLogP2.45
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-benzyl-1,3-benzothiazol-6-yl)-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58529360
5-(2-benzyl-3-methylbenzimidazol-5-yl)-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58529653
6-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-benzylindazole-3-carbonitrile
CID 58529572
4-[4-amino-5-(4-aminophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylic acid
CID 130447831
N-[4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-3,5-dioxo-4-phenyl-2-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 130447835
5-methyl-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 166973341
N-[4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-6-methyl-5-(N'-methylcarbamimidoyl)-2-oxo-1-phenylpyridine-3-carboxamide;ethane
CID 145377920
1-[4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluorophenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 59231938
5-(4-aminophenyl)-7-[1-(2-methylpropyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 131980319
[4-[4-amino-7-[(3S)-piperidin-3-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol
CID 90389168
1-(4-amino-5-phenylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone
CID 141191652
5-[4-amino-7-(2,3-dihydro-1H-inden-2-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,3-difluorophenol
CID 118025733

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-phenyl-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 150755871) is 5-phenyl-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-phenyl-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-phenyl-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(C3CCNCC3)cc(-c3ccccc3)c12.
What is the InChIKey of 5-phenyl-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is JWVFXFHPWQCYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c18-17-16-14(12-4-2-1-3-5-12)10-15(22(16)21-11-20-17)13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H2,18,20,21).
What are the key properties of 5-phenyl-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-phenyl-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 150755871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).