6-phenyl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C17H13N5 — CID 77068235

IUPAC6-phenyl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESc1ccc(-c2cc3c(Nc4ccncc4)ncnn3c2)cc1
InChIInChI=1S/C17H13N5/c1-2-4-13(5-3-1)14-10-16-17(19-12-20-22(16)11-14)21-15-6-8-18-9-7-15/h1-12H,(H,18,19,20,21)
InChIKeyKOECVTWSFPGZJE-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.53
Rot. Bonds3

About 6-phenyl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

6-phenyl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 77068235) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is 6-phenyl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name6-phenyl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID77068235
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC Name6-phenyl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESc1ccc(-c2cc3c(Nc4ccncc4)ncnn3c2)cc1
InChIInChI=1S/C17H13N5/c1-2-4-13(5-3-1)14-10-16-17(19-12-20-22(16)11-14)21-15-6-8-18-9-7-15/h1-12H,(H,18,19,20,21)
InChIKeyKOECVTWSFPGZJE-UHFFFAOYSA-N
XLogP3.53
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 6-phenyl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 77068235) is 6-phenyl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 6-phenyl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 6-phenyl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is c1ccc(-c2cc3c(Nc4ccncc4)ncnn3c2)cc1.
What is the InChIKey of 6-phenyl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is KOECVTWSFPGZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5/c1-2-4-13(5-3-1)14-10-16-17(19-12-20-22(16)11-14)21-15-6-8-18-9-7-15/h1-12H,(H,18,19,20,21).
What are the key properties of 6-phenyl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
6-phenyl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 287.33 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 77068235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).