1-(8-bromo-4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one

C10H11BrN4O — CID 13011563

IUPAC1-(8-bromo-4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one
SMILESCCC(=O)c1nnc2c(Br)cnn2c1CC
InChIInChI=1S/C10H11BrN4O/c1-3-7-9(8(16)4-2)13-14-10-6(11)5-12-15(7)10/h5H,3-4H2,1-2H3
InChIKeyJIKVZTLFABFRHJ-UHFFFAOYSA-N
MW283.13 g/mol
LogP2.04
Rot. Bonds3

About 1-(8-bromo-4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one

1-(8-bromo-4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one (PubChem CID 13011563) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 1-(8-bromo-4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(8-bromo-4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one
PubChem CID13011563
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name1-(8-bromo-4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one
SMILESCCC(=O)c1nnc2c(Br)cnn2c1CC
InChIInChI=1S/C10H11BrN4O/c1-3-7-9(8(16)4-2)13-14-10-6(11)5-12-15(7)10/h5H,3-4H2,1-2H3
InChIKeyJIKVZTLFABFRHJ-UHFFFAOYSA-N
XLogP2.04
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(8-bromo-4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one?
The IUPAC name of 1-(8-bromo-4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one (CID 13011563) is 1-(8-bromo-4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one.
What is the SMILES notation for 1-(8-bromo-4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one?
The canonical SMILES for 1-(8-bromo-4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one is CCC(=O)c1nnc2c(Br)cnn2c1CC.
What is the InChIKey of 1-(8-bromo-4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one?
The InChIKey is JIKVZTLFABFRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-3-7-9(8(16)4-2)13-14-10-6(11)5-12-15(7)10/h5H,3-4H2,1-2H3.
What are the key properties of 1-(8-bromo-4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one?
1-(8-bromo-4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one has a molecular weight of 283.13 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromo-4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one is sourced from PubChem (CID 13011563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).