3-amino-6-(4-fluorophenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one

C10H7FN6O — CID 135604603

IUPAC3-amino-6-(4-fluorophenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
SMILESNc1nnc2[nH]c(=O)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C10H7FN6O/c11-6-3-1-5(2-4-6)7-8(18)13-10-15-14-9(12)17(10)16-7/h1-4H,(H2,12,14)(H,13,15,18)
InChIKeyYKNKIYOADNZWQE-UHFFFAOYSA-N
MW246.21 g/mol
LogP0.20
Rot. Bonds1

About 3-amino-6-(4-fluorophenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one

3-amino-6-(4-fluorophenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one (PubChem CID 135604603) has the molecular formula C10H7FN6O and a molecular weight of 246.21 g/mol. Its IUPAC name is 3-amino-6-(4-fluorophenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one.

Molecular Properties

Compound Name3-amino-6-(4-fluorophenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
PubChem CID135604603
Molecular FormulaC10H7FN6O
Molecular Weight246.21 g/mol
Exact Mass246.07
IUPAC Name3-amino-6-(4-fluorophenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
SMILESNc1nnc2[nH]c(=O)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C10H7FN6O/c11-6-3-1-5(2-4-6)7-8(18)13-10-15-14-9(12)17(10)16-7/h1-4H,(H2,12,14)(H,13,15,18)
InChIKeyYKNKIYOADNZWQE-UHFFFAOYSA-N
XLogP0.20
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-6-(4-fluorophenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one with MolForge

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Related Compounds

3-amino-6-[1-(3-amino-7-oxo-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl)-2-(3-hydroxyphenyl)-2-oxoethyl]-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
CID 135514898
6-(4-chlorophenyl)-3-phenacylsulfanyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
CID 135680510
3,5-bis(4-fluorophenyl)triazol-4-amine
CID 82370214
6-(4-fluorophenyl)-1,2,4-triazin-5-amine
CID 116822964
N-(2-methylphenyl)-2-[[6-(4-methylphenyl)-7-oxo-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]sulfanyl]acetamide
CID 135680500
5-(4-fluorophenyl)-3-methyltriazol-4-amine
CID 83637005
6-(4-chlorophenyl)-3-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
CID 135853261
8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 146266600
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
3-(4-fluorophenyl)-1-phenylpyrazol-4-amine
CID 2104091
4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 135549350
7-(4-fluorophenyl)-8-iodotetrazolo[1,5-c]pyrimidin-5-amine
CID 168758981

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-fluorophenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one?
The IUPAC name of 3-amino-6-(4-fluorophenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one (CID 135604603) is 3-amino-6-(4-fluorophenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one.
What is the SMILES notation for 3-amino-6-(4-fluorophenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one?
The canonical SMILES for 3-amino-6-(4-fluorophenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one is Nc1nnc2[nH]c(=O)c(-c3ccc(F)cc3)nn12.
What is the InChIKey of 3-amino-6-(4-fluorophenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one?
The InChIKey is YKNKIYOADNZWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN6O/c11-6-3-1-5(2-4-6)7-8(18)13-10-15-14-9(12)17(10)16-7/h1-4H,(H2,12,14)(H,13,15,18).
What are the key properties of 3-amino-6-(4-fluorophenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one?
3-amino-6-(4-fluorophenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one has a molecular weight of 246.21 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-fluorophenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one is sourced from PubChem (CID 135604603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).