5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1H-pyridazin-6-one

C9H10BrN5O2 — CID 106418541

IUPAC5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1H-pyridazin-6-one
SMILESCc1nc(CCNc2cn[nH]c(=O)c2Br)no1
InChIInChI=1S/C9H10BrN5O2/c1-5-13-7(15-17-5)2-3-11-6-4-12-14-9(16)8(6)10/h4H,2-3H2,1H3,(H2,11,14,16)
InChIKeyKAGBOKZWPMITRF-UHFFFAOYSA-N
MW300.12 g/mol
LogP0.88
Rot. Bonds4

About 5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1H-pyridazin-6-one

5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1H-pyridazin-6-one (PubChem CID 106418541) has the molecular formula C9H10BrN5O2 and a molecular weight of 300.12 g/mol. Its IUPAC name is 5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1H-pyridazin-6-one
PubChem CID106418541
Molecular FormulaC9H10BrN5O2
Molecular Weight300.12 g/mol
Exact Mass299.00
IUPAC Name5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1H-pyridazin-6-one
SMILESCc1nc(CCNc2cn[nH]c(=O)c2Br)no1
InChIInChI=1S/C9H10BrN5O2/c1-5-13-7(15-17-5)2-3-11-6-4-12-14-9(16)8(6)10/h4H,2-3H2,1H3,(H2,11,14,16)
InChIKeyKAGBOKZWPMITRF-UHFFFAOYSA-N
XLogP0.88
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1H-pyridazin-6-one (CID 106418541) is 5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1H-pyridazin-6-one is Cc1nc(CCNc2cn[nH]c(=O)c2Br)no1.
What is the InChIKey of 5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1H-pyridazin-6-one?
The InChIKey is KAGBOKZWPMITRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O2/c1-5-13-7(15-17-5)2-3-11-6-4-12-14-9(16)8(6)10/h4H,2-3H2,1H3,(H2,11,14,16).
What are the key properties of 5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1H-pyridazin-6-one?
5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1H-pyridazin-6-one has a molecular weight of 300.12 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 106418541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).