1-[(2-chlorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one

C12H10ClN5O — CID 23606916

IUPAC1-[(2-chlorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one
SMILESCc1n[nH]c(=O)c2c1nnn2Cc1ccccc1Cl
InChIInChI=1S/C12H10ClN5O/c1-7-10-11(12(19)16-14-7)18(17-15-10)6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H,16,19)
InChIKeyZULOMWBRPIFNNL-UHFFFAOYSA-N
MW275.70 g/mol
LogP1.52
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one

1-[(2-chlorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one (PubChem CID 23606916) has the molecular formula C12H10ClN5O and a molecular weight of 275.70 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one
PubChem CID23606916
Molecular FormulaC12H10ClN5O
Molecular Weight275.70 g/mol
Exact Mass275.06
IUPAC Name1-[(2-chlorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one
SMILESCc1n[nH]c(=O)c2c1nnn2Cc1ccccc1Cl
InChIInChI=1S/C12H10ClN5O/c1-7-10-11(12(19)16-14-7)18(17-15-10)6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H,16,19)
InChIKeyZULOMWBRPIFNNL-UHFFFAOYSA-N
XLogP1.52
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one (CID 23606916) is 1-[(2-chlorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one is Cc1n[nH]c(=O)c2c1nnn2Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one?
The InChIKey is ZULOMWBRPIFNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O/c1-7-10-11(12(19)16-14-7)18(17-15-10)6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H,16,19).
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one?
1-[(2-chlorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one has a molecular weight of 275.70 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 23606916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).