6-(5-bromopyrimidin-2-yl)-2-propylpyridazin-3-one

C11H11BrN4O — CID 70961882

IUPAC6-(5-bromopyrimidin-2-yl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ncc(Br)cn2)ccc1=O
InChIInChI=1S/C11H11BrN4O/c1-2-5-16-10(17)4-3-9(15-16)11-13-6-8(12)7-14-11/h3-4,6-7H,2,5H2,1H3
InChIKeyNQEZMOIMCSDNCD-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.87
Rot. Bonds3

About 6-(5-bromopyrimidin-2-yl)-2-propylpyridazin-3-one

6-(5-bromopyrimidin-2-yl)-2-propylpyridazin-3-one (PubChem CID 70961882) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 6-(5-bromopyrimidin-2-yl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-(5-bromopyrimidin-2-yl)-2-propylpyridazin-3-one
PubChem CID70961882
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name6-(5-bromopyrimidin-2-yl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ncc(Br)cn2)ccc1=O
InChIInChI=1S/C11H11BrN4O/c1-2-5-16-10(17)4-3-9(15-16)11-13-6-8(12)7-14-11/h3-4,6-7H,2,5H2,1H3
InChIKeyNQEZMOIMCSDNCD-UHFFFAOYSA-N
XLogP1.87
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromopyrimidin-2-yl)-2-propylpyridazin-3-one?
The IUPAC name of 6-(5-bromopyrimidin-2-yl)-2-propylpyridazin-3-one (CID 70961882) is 6-(5-bromopyrimidin-2-yl)-2-propylpyridazin-3-one.
What is the SMILES notation for 6-(5-bromopyrimidin-2-yl)-2-propylpyridazin-3-one?
The canonical SMILES for 6-(5-bromopyrimidin-2-yl)-2-propylpyridazin-3-one is CCCn1nc(-c2ncc(Br)cn2)ccc1=O.
What is the InChIKey of 6-(5-bromopyrimidin-2-yl)-2-propylpyridazin-3-one?
The InChIKey is NQEZMOIMCSDNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-2-5-16-10(17)4-3-9(15-16)11-13-6-8(12)7-14-11/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 6-(5-bromopyrimidin-2-yl)-2-propylpyridazin-3-one?
6-(5-bromopyrimidin-2-yl)-2-propylpyridazin-3-one has a molecular weight of 295.14 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromopyrimidin-2-yl)-2-propylpyridazin-3-one is sourced from PubChem (CID 70961882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).