6-chloro-2-(cyclopropylmethyl)-4-methylpyridazin-3-one

C9H11ClN2O — CID 171574775

IUPAC6-chloro-2-(cyclopropylmethyl)-4-methylpyridazin-3-one
SMILESCc1cc(Cl)nn(CC2CC2)c1=O
InChIInChI=1S/C9H11ClN2O/c1-6-4-8(10)11-12(9(6)13)5-7-2-3-7/h4,7H,2-3,5H2,1H3
InChIKeyUMEPUBMEGLJPEA-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.62
Rot. Bonds2

About 6-chloro-2-(cyclopropylmethyl)-4-methylpyridazin-3-one

6-chloro-2-(cyclopropylmethyl)-4-methylpyridazin-3-one (PubChem CID 171574775) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 6-chloro-2-(cyclopropylmethyl)-4-methylpyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-(cyclopropylmethyl)-4-methylpyridazin-3-one
PubChem CID171574775
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name6-chloro-2-(cyclopropylmethyl)-4-methylpyridazin-3-one
SMILESCc1cc(Cl)nn(CC2CC2)c1=O
InChIInChI=1S/C9H11ClN2O/c1-6-4-8(10)11-12(9(6)13)5-7-2-3-7/h4,7H,2-3,5H2,1H3
InChIKeyUMEPUBMEGLJPEA-UHFFFAOYSA-N
XLogP1.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(cyclopropylmethyl)-4-methylpyridazin-3-one?
The IUPAC name of 6-chloro-2-(cyclopropylmethyl)-4-methylpyridazin-3-one (CID 171574775) is 6-chloro-2-(cyclopropylmethyl)-4-methylpyridazin-3-one.
What is the SMILES notation for 6-chloro-2-(cyclopropylmethyl)-4-methylpyridazin-3-one?
The canonical SMILES for 6-chloro-2-(cyclopropylmethyl)-4-methylpyridazin-3-one is Cc1cc(Cl)nn(CC2CC2)c1=O.
What is the InChIKey of 6-chloro-2-(cyclopropylmethyl)-4-methylpyridazin-3-one?
The InChIKey is UMEPUBMEGLJPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-6-4-8(10)11-12(9(6)13)5-7-2-3-7/h4,7H,2-3,5H2,1H3.
What are the key properties of 6-chloro-2-(cyclopropylmethyl)-4-methylpyridazin-3-one?
6-chloro-2-(cyclopropylmethyl)-4-methylpyridazin-3-one has a molecular weight of 198.65 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(cyclopropylmethyl)-4-methylpyridazin-3-one is sourced from PubChem (CID 171574775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).