N-(3-chloro-4-fluorophenyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C13H10ClFN4 — CID 11357877

IUPACN-(3-chloro-4-fluorophenyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1ccn2ncnc(Nc3ccc(F)c(Cl)c3)c12
InChIInChI=1S/C13H10ClFN4/c1-8-4-5-19-12(8)13(16-7-17-19)18-9-2-3-11(15)10(14)6-9/h2-7H,1H3,(H,16,17,18)
InChIKeyMQUDAGONIFHBJH-UHFFFAOYSA-N
MW276.70 g/mol
LogP3.57
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(3-chloro-4-fluorophenyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 11357877) has the molecular formula C13H10ClFN4 and a molecular weight of 276.70 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID11357877
Molecular FormulaC13H10ClFN4
Molecular Weight276.70 g/mol
Exact Mass276.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1ccn2ncnc(Nc3ccc(F)c(Cl)c3)c12
InChIInChI=1S/C13H10ClFN4/c1-8-4-5-19-12(8)13(16-7-17-19)18-9-2-3-11(15)10(14)6-9/h2-7H,1H3,(H,16,17,18)
InChIKeyMQUDAGONIFHBJH-UHFFFAOYSA-N
XLogP3.57
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 53.57
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)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 11357877) is N-(3-chloro-4-fluorophenyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1ccn2ncnc(Nc3ccc(F)c(Cl)c3)c12.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is MQUDAGONIFHBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4/c1-8-4-5-19-12(8)13(16-7-17-19)18-9-2-3-11(15)10(14)6-9/h2-7H,1H3,(H,16,17,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(3-chloro-4-fluorophenyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 276.70 g/mol, XLogP of 3.57, 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)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 11357877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).