8-bromo-6-cyclopropyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one

C8H7BrN4O — CID 22758985

IUPAC8-bromo-6-cyclopropyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1[nH]ncc2c(Br)nc(C3CC3)n12
InChIInChI=1S/C8H7BrN4O/c9-6-5-3-10-12-8(14)13(5)7(11-6)4-1-2-4/h3-4H,1-2H2,(H,12,14)
InChIKeyFEBOWPIZWQUZPA-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.06
Rot. Bonds1

About 8-bromo-6-cyclopropyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one

8-bromo-6-cyclopropyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one (PubChem CID 22758985) has the molecular formula C8H7BrN4O and a molecular weight of 255.07 g/mol. Its IUPAC name is 8-bromo-6-cyclopropyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name8-bromo-6-cyclopropyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one
PubChem CID22758985
Molecular FormulaC8H7BrN4O
Molecular Weight255.07 g/mol
Exact Mass253.98
IUPAC Name8-bromo-6-cyclopropyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1[nH]ncc2c(Br)nc(C3CC3)n12
InChIInChI=1S/C8H7BrN4O/c9-6-5-3-10-12-8(14)13(5)7(11-6)4-1-2-4/h3-4H,1-2H2,(H,12,14)
InChIKeyFEBOWPIZWQUZPA-UHFFFAOYSA-N
XLogP1.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-cyclopropyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 8-bromo-6-cyclopropyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one (CID 22758985) is 8-bromo-6-cyclopropyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 8-bromo-6-cyclopropyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 8-bromo-6-cyclopropyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one is O=c1[nH]ncc2c(Br)nc(C3CC3)n12.
What is the InChIKey of 8-bromo-6-cyclopropyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is FEBOWPIZWQUZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O/c9-6-5-3-10-12-8(14)13(5)7(11-6)4-1-2-4/h3-4H,1-2H2,(H,12,14).
What are the key properties of 8-bromo-6-cyclopropyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one?
8-bromo-6-cyclopropyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 255.07 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-cyclopropyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 22758985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).