4,5-dibromo-2-(cyclopropylmethyl)pyridazin-3-one

C8H8Br2N2O — CID 97178758

IUPAC4,5-dibromo-2-(cyclopropylmethyl)pyridazin-3-one
SMILESO=c1c(Br)c(Br)cnn1CC1CC1
InChIInChI=1S/C8H8Br2N2O/c9-6-3-11-12(4-5-1-2-5)8(13)7(6)10/h3,5H,1-2,4H2
InChIKeyWFXSPVRKXRZNPL-UHFFFAOYSA-N
MW307.97 g/mol
LogP2.18
Rot. Bonds2

About 4,5-dibromo-2-(cyclopropylmethyl)pyridazin-3-one

4,5-dibromo-2-(cyclopropylmethyl)pyridazin-3-one (PubChem CID 97178758) has the molecular formula C8H8Br2N2O and a molecular weight of 307.97 g/mol. Its IUPAC name is 4,5-dibromo-2-(cyclopropylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-(cyclopropylmethyl)pyridazin-3-one
PubChem CID97178758
Molecular FormulaC8H8Br2N2O
Molecular Weight307.97 g/mol
Exact Mass305.90
IUPAC Name4,5-dibromo-2-(cyclopropylmethyl)pyridazin-3-one
SMILESO=c1c(Br)c(Br)cnn1CC1CC1
InChIInChI=1S/C8H8Br2N2O/c9-6-3-11-12(4-5-1-2-5)8(13)7(6)10/h3,5H,1-2,4H2
InChIKeyWFXSPVRKXRZNPL-UHFFFAOYSA-N
XLogP2.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.97
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-(cyclopropylmethyl)pyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-(cyclopropylmethyl)pyridazin-3-one (CID 97178758) is 4,5-dibromo-2-(cyclopropylmethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-(cyclopropylmethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-(cyclopropylmethyl)pyridazin-3-one is O=c1c(Br)c(Br)cnn1CC1CC1.
What is the InChIKey of 4,5-dibromo-2-(cyclopropylmethyl)pyridazin-3-one?
The InChIKey is WFXSPVRKXRZNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2N2O/c9-6-3-11-12(4-5-1-2-5)8(13)7(6)10/h3,5H,1-2,4H2.
What are the key properties of 4,5-dibromo-2-(cyclopropylmethyl)pyridazin-3-one?
4,5-dibromo-2-(cyclopropylmethyl)pyridazin-3-one has a molecular weight of 307.97 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-(cyclopropylmethyl)pyridazin-3-one is sourced from PubChem (CID 97178758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).