2-(5-bromothiophen-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

C9H5BrN4OS — CID 112707592

IUPAC2-(5-bromothiophen-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1[nH]ncn2nc(-c3ccc(Br)s3)cc12
InChIInChI=1S/C9H5BrN4OS/c10-8-2-1-7(16-8)5-3-6-9(15)12-11-4-14(6)13-5/h1-4H,(H,12,15)
InChIKeyYMWMFANNVJKFPW-UHFFFAOYSA-N
MW297.14 g/mol
LogP1.91
Rot. Bonds1

About 2-(5-bromothiophen-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

2-(5-bromothiophen-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 112707592) has the molecular formula C9H5BrN4OS and a molecular weight of 297.14 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID112707592
Molecular FormulaC9H5BrN4OS
Molecular Weight297.14 g/mol
Exact Mass295.94
IUPAC Name2-(5-bromothiophen-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1[nH]ncn2nc(-c3ccc(Br)s3)cc12
InChIInChI=1S/C9H5BrN4OS/c10-8-2-1-7(16-8)5-3-6-9(15)12-11-4-14(6)13-5/h1-4H,(H,12,15)
InChIKeyYMWMFANNVJKFPW-UHFFFAOYSA-N
XLogP1.91
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 2-(5-bromothiophen-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 112707592) is 2-(5-bromothiophen-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is O=c1[nH]ncn2nc(-c3ccc(Br)s3)cc12.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is YMWMFANNVJKFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN4OS/c10-8-2-1-7(16-8)5-3-6-9(15)12-11-4-14(6)13-5/h1-4H,(H,12,15).
What are the key properties of 2-(5-bromothiophen-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
2-(5-bromothiophen-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 297.14 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 112707592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).