6-chloro-4-methyl-5-(phenylmethoxymethyl)pyridazin-3-amine

C13H14ClN3O — CID 155592447

IUPAC6-chloro-4-methyl-5-(phenylmethoxymethyl)pyridazin-3-amine
SMILESCc1c(N)nnc(Cl)c1COCc1ccccc1
InChIInChI=1S/C13H14ClN3O/c1-9-11(12(14)16-17-13(9)15)8-18-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,15,17)
InChIKeyVTKQXBUEPDNUNE-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.74
Rot. Bonds4

About 6-chloro-4-methyl-5-(phenylmethoxymethyl)pyridazin-3-amine

6-chloro-4-methyl-5-(phenylmethoxymethyl)pyridazin-3-amine (PubChem CID 155592447) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-chloro-4-methyl-5-(phenylmethoxymethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-4-methyl-5-(phenylmethoxymethyl)pyridazin-3-amine
PubChem CID155592447
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name6-chloro-4-methyl-5-(phenylmethoxymethyl)pyridazin-3-amine
SMILESCc1c(N)nnc(Cl)c1COCc1ccccc1
InChIInChI=1S/C13H14ClN3O/c1-9-11(12(14)16-17-13(9)15)8-18-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,15,17)
InChIKeyVTKQXBUEPDNUNE-UHFFFAOYSA-N
XLogP2.74
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-5-(phenylmethoxymethyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-4-methyl-5-(phenylmethoxymethyl)pyridazin-3-amine (CID 155592447) is 6-chloro-4-methyl-5-(phenylmethoxymethyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-4-methyl-5-(phenylmethoxymethyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-4-methyl-5-(phenylmethoxymethyl)pyridazin-3-amine is Cc1c(N)nnc(Cl)c1COCc1ccccc1.
What is the InChIKey of 6-chloro-4-methyl-5-(phenylmethoxymethyl)pyridazin-3-amine?
The InChIKey is VTKQXBUEPDNUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-11(12(14)16-17-13(9)15)8-18-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,15,17).
What are the key properties of 6-chloro-4-methyl-5-(phenylmethoxymethyl)pyridazin-3-amine?
6-chloro-4-methyl-5-(phenylmethoxymethyl)pyridazin-3-amine has a molecular weight of 263.73 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-5-(phenylmethoxymethyl)pyridazin-3-amine is sourced from PubChem (CID 155592447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).