1-(6-bromo-5-fluoro-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione

C12H10BrFN4O2 — CID 162726296

IUPAC1-(6-bromo-5-fluoro-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione
SMILESCn1nc(N2CCC(=O)NC2=O)c2cc(F)c(Br)cc21
InChIInChI=1S/C12H10BrFN4O2/c1-17-9-5-7(13)8(14)4-6(9)11(16-17)18-3-2-10(19)15-12(18)20/h4-5H,2-3H2,1H3,(H,15,19,20)
InChIKeyKFKVWUYFOMKILO-UHFFFAOYSA-N
MW341.14 g/mol
LogP1.92
Rot. Bonds1

About 1-(6-bromo-5-fluoro-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione

1-(6-bromo-5-fluoro-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione (PubChem CID 162726296) has the molecular formula C12H10BrFN4O2 and a molecular weight of 341.14 g/mol. Its IUPAC name is 1-(6-bromo-5-fluoro-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(6-bromo-5-fluoro-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione
PubChem CID162726296
Molecular FormulaC12H10BrFN4O2
Molecular Weight341.14 g/mol
Exact Mass340.00
IUPAC Name1-(6-bromo-5-fluoro-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione
SMILESCn1nc(N2CCC(=O)NC2=O)c2cc(F)c(Br)cc21
InChIInChI=1S/C12H10BrFN4O2/c1-17-9-5-7(13)8(14)4-6(9)11(16-17)18-3-2-10(19)15-12(18)20/h4-5H,2-3H2,1H3,(H,15,19,20)
InChIKeyKFKVWUYFOMKILO-UHFFFAOYSA-N
XLogP1.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.14
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-5-fluoro-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(6-bromo-5-fluoro-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione (CID 162726296) is 1-(6-bromo-5-fluoro-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(6-bromo-5-fluoro-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(6-bromo-5-fluoro-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione is Cn1nc(N2CCC(=O)NC2=O)c2cc(F)c(Br)cc21.
What is the InChIKey of 1-(6-bromo-5-fluoro-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione?
The InChIKey is KFKVWUYFOMKILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN4O2/c1-17-9-5-7(13)8(14)4-6(9)11(16-17)18-3-2-10(19)15-12(18)20/h4-5H,2-3H2,1H3,(H,15,19,20).
What are the key properties of 1-(6-bromo-5-fluoro-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione?
1-(6-bromo-5-fluoro-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione has a molecular weight of 341.14 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-5-fluoro-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 162726296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).