N-(3-chloro-4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C12H8ClFN4 — CID 11817879

IUPACN-(3-chloro-4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1ccc(Nc2ncnn3cccc23)cc1Cl
InChIInChI=1S/C12H8ClFN4/c13-9-6-8(3-4-10(9)14)17-12-11-2-1-5-18(11)16-7-15-12/h1-7H,(H,15,16,17)
InChIKeyBCBRJDZMKPNHMU-UHFFFAOYSA-N
MW262.68 g/mol
LogP3.27
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(3-chloro-4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 11817879) has the molecular formula C12H8ClFN4 and a molecular weight of 262.68 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID11817879
Molecular FormulaC12H8ClFN4
Molecular Weight262.68 g/mol
Exact Mass262.04
IUPAC NameN-(3-chloro-4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1ccc(Nc2ncnn3cccc23)cc1Cl
InChIInChI=1S/C12H8ClFN4/c13-9-6-8(3-4-10(9)14)17-12-11-2-1-5-18(11)16-7-15-12/h1-7H,(H,15,16,17)
InChIKeyBCBRJDZMKPNHMU-UHFFFAOYSA-N
XLogP3.27
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.68
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 11817879) is N-(3-chloro-4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Fc1ccc(Nc2ncnn3cccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is BCBRJDZMKPNHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4/c13-9-6-8(3-4-10(9)14)17-12-11-2-1-5-18(11)16-7-15-12/h1-7H,(H,15,16,17).
What are the key properties of N-(3-chloro-4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(3-chloro-4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 262.68 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 11817879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).