4-bromo-2-methyl-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one

C14H18BrN5O2 — CID 133303018

IUPAC4-bromo-2-methyl-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one
SMILESCc1cc(CN2CCN(c3cnn(C)c(=O)c3Br)CC2)no1
InChIInChI=1S/C14H18BrN5O2/c1-10-7-11(17-22-10)9-19-3-5-20(6-4-19)12-8-16-18(2)14(21)13(12)15/h7-8H,3-6,9H2,1-2H3
InChIKeyLXEXCQLCBYUAOH-UHFFFAOYSA-N
MW368.24 g/mol
LogP1.16
Rot. Bonds3

About 4-bromo-2-methyl-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one

4-bromo-2-methyl-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one (PubChem CID 133303018) has the molecular formula C14H18BrN5O2 and a molecular weight of 368.24 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one
PubChem CID133303018
Molecular FormulaC14H18BrN5O2
Molecular Weight368.24 g/mol
Exact Mass367.06
IUPAC Name4-bromo-2-methyl-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one
SMILESCc1cc(CN2CCN(c3cnn(C)c(=O)c3Br)CC2)no1
InChIInChI=1S/C14H18BrN5O2/c1-10-7-11(17-22-10)9-19-3-5-20(6-4-19)12-8-16-18(2)14(21)13(12)15/h7-8H,3-6,9H2,1-2H3
InChIKeyLXEXCQLCBYUAOH-UHFFFAOYSA-N
XLogP1.16
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one (CID 133303018) is 4-bromo-2-methyl-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one is Cc1cc(CN2CCN(c3cnn(C)c(=O)c3Br)CC2)no1.
What is the InChIKey of 4-bromo-2-methyl-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one?
The InChIKey is LXEXCQLCBYUAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O2/c1-10-7-11(17-22-10)9-19-3-5-20(6-4-19)12-8-16-18(2)14(21)13(12)15/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 4-bromo-2-methyl-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one?
4-bromo-2-methyl-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one has a molecular weight of 368.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 133303018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).