N-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C11H9N5 — CID 77068234

IUPACN-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESc1cncc(Nc2ncnn3cccc23)c1
InChIInChI=1S/C11H9N5/c1-3-9(7-12-5-1)15-11-10-4-2-6-16(10)14-8-13-11/h1-8H,(H,13,14,15)
InChIKeyKTWGHBNFKBORPM-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.87
Rot. Bonds2

About N-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

N-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 77068234) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is N-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID77068234
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC NameN-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESc1cncc(Nc2ncnn3cccc23)c1
InChIInChI=1S/C11H9N5/c1-3-9(7-12-5-1)15-11-10-4-2-6-16(10)14-8-13-11/h1-8H,(H,13,14,15)
InChIKeyKTWGHBNFKBORPM-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

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 77068234) is N-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is c1cncc(Nc2ncnn3cccc23)c1.
What is the InChIKey of N-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is KTWGHBNFKBORPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c1-3-9(7-12-5-1)15-11-10-4-2-6-16(10)14-8-13-11/h1-8H,(H,13,14,15).
What are the key properties of N-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-pyridin-3-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-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 77068234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).