4-bromo-2-methyl-5-[(1-methylsulfanylcyclopropyl)methylamino]pyridazin-3-one

C10H14BrN3OS — CID 107268999

IUPAC4-bromo-2-methyl-5-[(1-methylsulfanylcyclopropyl)methylamino]pyridazin-3-one
SMILESCSC1(CNc2cnn(C)c(=O)c2Br)CC1
InChIInChI=1S/C10H14BrN3OS/c1-14-9(15)8(11)7(5-13-14)12-6-10(16-2)3-4-10/h5,12H,3-4,6H2,1-2H3
InChIKeyDJUBFBIVAXVBFG-UHFFFAOYSA-N
MW304.21 g/mol
LogP1.85
Rot. Bonds4

About 4-bromo-2-methyl-5-[(1-methylsulfanylcyclopropyl)methylamino]pyridazin-3-one

4-bromo-2-methyl-5-[(1-methylsulfanylcyclopropyl)methylamino]pyridazin-3-one (PubChem CID 107268999) has the molecular formula C10H14BrN3OS and a molecular weight of 304.21 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-[(1-methylsulfanylcyclopropyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-[(1-methylsulfanylcyclopropyl)methylamino]pyridazin-3-one
PubChem CID107268999
Molecular FormulaC10H14BrN3OS
Molecular Weight304.21 g/mol
Exact Mass303.00
IUPAC Name4-bromo-2-methyl-5-[(1-methylsulfanylcyclopropyl)methylamino]pyridazin-3-one
SMILESCSC1(CNc2cnn(C)c(=O)c2Br)CC1
InChIInChI=1S/C10H14BrN3OS/c1-14-9(15)8(11)7(5-13-14)12-6-10(16-2)3-4-10/h5,12H,3-4,6H2,1-2H3
InChIKeyDJUBFBIVAXVBFG-UHFFFAOYSA-N
XLogP1.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-[(1-methylsulfanylcyclopropyl)methylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-[(1-methylsulfanylcyclopropyl)methylamino]pyridazin-3-one (CID 107268999) is 4-bromo-2-methyl-5-[(1-methylsulfanylcyclopropyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-[(1-methylsulfanylcyclopropyl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-[(1-methylsulfanylcyclopropyl)methylamino]pyridazin-3-one is CSC1(CNc2cnn(C)c(=O)c2Br)CC1.
What is the InChIKey of 4-bromo-2-methyl-5-[(1-methylsulfanylcyclopropyl)methylamino]pyridazin-3-one?
The InChIKey is DJUBFBIVAXVBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3OS/c1-14-9(15)8(11)7(5-13-14)12-6-10(16-2)3-4-10/h5,12H,3-4,6H2,1-2H3.
What are the key properties of 4-bromo-2-methyl-5-[(1-methylsulfanylcyclopropyl)methylamino]pyridazin-3-one?
4-bromo-2-methyl-5-[(1-methylsulfanylcyclopropyl)methylamino]pyridazin-3-one has a molecular weight of 304.21 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-[(1-methylsulfanylcyclopropyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 107268999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).