3-(5,7-difluoro-1H-indol-3-yl)-1,2,4-triazin-5-amine

C11H7F2N5 — CID 129181901

IUPAC3-(5,7-difluoro-1H-indol-3-yl)-1,2,4-triazin-5-amine
SMILESNc1cnnc(-c2c[nH]c3c(F)cc(F)cc23)n1
InChIInChI=1S/C11H7F2N5/c12-5-1-6-7(3-15-10(6)8(13)2-5)11-17-9(14)4-16-18-11/h1-4,15H,(H2,14,17,18)
InChIKeyBYVFVFMGNWQDLW-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.88
Rot. Bonds1

About 3-(5,7-difluoro-1H-indol-3-yl)-1,2,4-triazin-5-amine

3-(5,7-difluoro-1H-indol-3-yl)-1,2,4-triazin-5-amine (PubChem CID 129181901) has the molecular formula C11H7F2N5 and a molecular weight of 247.21 g/mol. Its IUPAC name is 3-(5,7-difluoro-1H-indol-3-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(5,7-difluoro-1H-indol-3-yl)-1,2,4-triazin-5-amine
PubChem CID129181901
Molecular FormulaC11H7F2N5
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name3-(5,7-difluoro-1H-indol-3-yl)-1,2,4-triazin-5-amine
SMILESNc1cnnc(-c2c[nH]c3c(F)cc(F)cc23)n1
InChIInChI=1S/C11H7F2N5/c12-5-1-6-7(3-15-10(6)8(13)2-5)11-17-9(14)4-16-18-11/h1-4,15H,(H2,14,17,18)
InChIKeyBYVFVFMGNWQDLW-UHFFFAOYSA-N
XLogP1.88
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-difluoro-1H-indol-3-yl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-(5,7-difluoro-1H-indol-3-yl)-1,2,4-triazin-5-amine (CID 129181901) is 3-(5,7-difluoro-1H-indol-3-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(5,7-difluoro-1H-indol-3-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(5,7-difluoro-1H-indol-3-yl)-1,2,4-triazin-5-amine is Nc1cnnc(-c2c[nH]c3c(F)cc(F)cc23)n1.
What is the InChIKey of 3-(5,7-difluoro-1H-indol-3-yl)-1,2,4-triazin-5-amine?
The InChIKey is BYVFVFMGNWQDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N5/c12-5-1-6-7(3-15-10(6)8(13)2-5)11-17-9(14)4-16-18-11/h1-4,15H,(H2,14,17,18).
What are the key properties of 3-(5,7-difluoro-1H-indol-3-yl)-1,2,4-triazin-5-amine?
3-(5,7-difluoro-1H-indol-3-yl)-1,2,4-triazin-5-amine has a molecular weight of 247.21 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-difluoro-1H-indol-3-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 129181901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).