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

C11H9N5 — CID 118711764

IUPACN-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESc1cc2c(Nc3ccncc3)ncnn2c1
InChIInChI=1S/C11H9N5/c1-2-10-11(13-8-14-16(10)7-1)15-9-3-5-12-6-4-9/h1-8H,(H,12,13,14,15)
InChIKeyYHABYTGQYXIQOG-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.87
Rot. Bonds2

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

N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 118711764) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID118711764
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC NameN-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESc1cc2c(Nc3ccncc3)ncnn2c1
InChIInChI=1S/C11H9N5/c1-2-10-11(13-8-14-16(10)7-1)15-9-3-5-12-6-4-9/h1-8H,(H,12,13,14,15)
InChIKeyYHABYTGQYXIQOG-UHFFFAOYSA-N
XLogP1.87
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 118711764) is N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is c1cc2c(Nc3ccncc3)ncnn2c1.
What is the InChIKey of N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is YHABYTGQYXIQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c1-2-10-11(13-8-14-16(10)7-1)15-9-3-5-12-6-4-9/h1-8H,(H,12,13,14,15).
What are the key properties of N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 211.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 118711764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).