1-[2-methoxy-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]pyrrolidin-2-one

C15H15N7O2 — CID 154759176

IUPAC1-[2-methoxy-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]pyrrolidin-2-one
SMILESCOc1cc(Nc2ccc3nnnn3n2)ccc1N1CCCC1=O
InChIInChI=1S/C15H15N7O2/c1-24-12-9-10(4-5-11(12)21-8-2-3-15(21)23)16-13-6-7-14-17-19-20-22(14)18-13/h4-7,9H,2-3,8H2,1H3,(H,16,18)
InChIKeyODXDJHWXAZPQQA-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.40
Rot. Bonds4

About 1-[2-methoxy-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]pyrrolidin-2-one

1-[2-methoxy-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]pyrrolidin-2-one (PubChem CID 154759176) has the molecular formula C15H15N7O2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 1-[2-methoxy-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-methoxy-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]pyrrolidin-2-one
PubChem CID154759176
Molecular FormulaC15H15N7O2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name1-[2-methoxy-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]pyrrolidin-2-one
SMILESCOc1cc(Nc2ccc3nnnn3n2)ccc1N1CCCC1=O
InChIInChI=1S/C15H15N7O2/c1-24-12-9-10(4-5-11(12)21-8-2-3-15(21)23)16-13-6-7-14-17-19-20-22(14)18-13/h4-7,9H,2-3,8H2,1H3,(H,16,18)
InChIKeyODXDJHWXAZPQQA-UHFFFAOYSA-N
XLogP1.40
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-methoxy-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]pyrrolidin-2-one (CID 154759176) is 1-[2-methoxy-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-methoxy-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-methoxy-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]pyrrolidin-2-one is COc1cc(Nc2ccc3nnnn3n2)ccc1N1CCCC1=O.
What is the InChIKey of 1-[2-methoxy-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]pyrrolidin-2-one?
The InChIKey is ODXDJHWXAZPQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2/c1-24-12-9-10(4-5-11(12)21-8-2-3-15(21)23)16-13-6-7-14-17-19-20-22(14)18-13/h4-7,9H,2-3,8H2,1H3,(H,16,18).
What are the key properties of 1-[2-methoxy-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]pyrrolidin-2-one?
1-[2-methoxy-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]pyrrolidin-2-one has a molecular weight of 325.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 154759176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).