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

C17H12ClN5 — CID 118711855

IUPAC6-(2-chlorophenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESClc1ccccc1-c1cc2c(Nc3ccncc3)ncnn2c1
InChIInChI=1S/C17H12ClN5/c18-15-4-2-1-3-14(15)12-9-16-17(20-11-21-23(16)10-12)22-13-5-7-19-8-6-13/h1-11H,(H,19,20,21,22)
InChIKeyZMXRDFLSGDUHPO-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.19
Rot. Bonds3

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

6-(2-chlorophenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 118711855) has the molecular formula C17H12ClN5 and a molecular weight of 321.77 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID118711855
Molecular FormulaC17H12ClN5
Molecular Weight321.77 g/mol
Exact Mass321.08
IUPAC Name6-(2-chlorophenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESClc1ccccc1-c1cc2c(Nc3ccncc3)ncnn2c1
InChIInChI=1S/C17H12ClN5/c18-15-4-2-1-3-14(15)12-9-16-17(20-11-21-23(16)10-12)22-13-5-7-19-8-6-13/h1-11H,(H,19,20,21,22)
InChIKeyZMXRDFLSGDUHPO-UHFFFAOYSA-N
XLogP4.19
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 6-(2-chlorophenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 118711855) is 6-(2-chlorophenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 6-(2-chlorophenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 6-(2-chlorophenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is Clc1ccccc1-c1cc2c(Nc3ccncc3)ncnn2c1.
What is the InChIKey of 6-(2-chlorophenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is ZMXRDFLSGDUHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5/c18-15-4-2-1-3-14(15)12-9-16-17(20-11-21-23(16)10-12)22-13-5-7-19-8-6-13/h1-11H,(H,19,20,21,22).
What are the key properties of 6-(2-chlorophenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
6-(2-chlorophenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 321.77 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 118711855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).