5-(4-amino-2,6-dichlorophenoxy)-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-one

C13H12Cl2N4O2 — CID 155363845

IUPAC5-(4-amino-2,6-dichlorophenoxy)-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-one
SMILESNc1cc(Cl)c(Oc2n[nH]c(=O)c3c2CCCN3)c(Cl)c1
InChIInChI=1S/C13H12Cl2N4O2/c14-8-4-6(16)5-9(15)11(8)21-13-7-2-1-3-17-10(7)12(20)18-19-13/h4-5,17H,1-3,16H2,(H,18,20)
InChIKeyHHFCUGPTXIEPGP-UHFFFAOYSA-N
MW327.17 g/mol
LogP2.81
Rot. Bonds2

About 5-(4-amino-2,6-dichlorophenoxy)-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-one

5-(4-amino-2,6-dichlorophenoxy)-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-one (PubChem CID 155363845) has the molecular formula C13H12Cl2N4O2 and a molecular weight of 327.17 g/mol. Its IUPAC name is 5-(4-amino-2,6-dichlorophenoxy)-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-one.

Molecular Properties

Compound Name5-(4-amino-2,6-dichlorophenoxy)-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-one
PubChem CID155363845
Molecular FormulaC13H12Cl2N4O2
Molecular Weight327.17 g/mol
Exact Mass326.03
IUPAC Name5-(4-amino-2,6-dichlorophenoxy)-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-one
SMILESNc1cc(Cl)c(Oc2n[nH]c(=O)c3c2CCCN3)c(Cl)c1
InChIInChI=1S/C13H12Cl2N4O2/c14-8-4-6(16)5-9(15)11(8)21-13-7-2-1-3-17-10(7)12(20)18-19-13/h4-5,17H,1-3,16H2,(H,18,20)
InChIKeyHHFCUGPTXIEPGP-UHFFFAOYSA-N
XLogP2.81
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2,6-dichlorophenoxy)-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-one?
The IUPAC name of 5-(4-amino-2,6-dichlorophenoxy)-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-one (CID 155363845) is 5-(4-amino-2,6-dichlorophenoxy)-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-one.
What is the SMILES notation for 5-(4-amino-2,6-dichlorophenoxy)-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-one?
The canonical SMILES for 5-(4-amino-2,6-dichlorophenoxy)-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-one is Nc1cc(Cl)c(Oc2n[nH]c(=O)c3c2CCCN3)c(Cl)c1.
What is the InChIKey of 5-(4-amino-2,6-dichlorophenoxy)-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-one?
The InChIKey is HHFCUGPTXIEPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O2/c14-8-4-6(16)5-9(15)11(8)21-13-7-2-1-3-17-10(7)12(20)18-19-13/h4-5,17H,1-3,16H2,(H,18,20).
What are the key properties of 5-(4-amino-2,6-dichlorophenoxy)-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-one?
5-(4-amino-2,6-dichlorophenoxy)-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-one has a molecular weight of 327.17 g/mol, XLogP of 2.81, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2,6-dichlorophenoxy)-2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-one is sourced from PubChem (CID 155363845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).