2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C15H9ClF2N6 — CID 142497912

IUPAC2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1cc(F)cc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)c1
InChIInChI=1S/C15H9ClF2N6/c16-15-21-14(12-2-1-3-24(12)22-15)20-13-7-23(8-19-13)11-5-9(17)4-10(18)6-11/h1-8H,(H,20,21,22)
InChIKeyDAMRSCSVRBKKLM-UHFFFAOYSA-N
MW346.73 g/mol
LogP3.59
Rot. Bonds3

About 2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 142497912) has the molecular formula C15H9ClF2N6 and a molecular weight of 346.73 g/mol. Its IUPAC name is 2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID142497912
Molecular FormulaC15H9ClF2N6
Molecular Weight346.73 g/mol
Exact Mass346.05
IUPAC Name2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1cc(F)cc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)c1
InChIInChI=1S/C15H9ClF2N6/c16-15-21-14(12-2-1-3-24(12)22-15)20-13-7-23(8-19-13)11-5-9(17)4-10(18)6-11/h1-8H,(H,20,21,22)
InChIKeyDAMRSCSVRBKKLM-UHFFFAOYSA-N
XLogP3.59
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.73
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 142497912) is 2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is Fc1cc(F)cc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)c1.
What is the InChIKey of 2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is DAMRSCSVRBKKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N6/c16-15-21-14(12-2-1-3-24(12)22-15)20-13-7-23(8-19-13)11-5-9(17)4-10(18)6-11/h1-8H,(H,20,21,22).
What are the key properties of 2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 346.73 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 142497912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).