5-N-benzyl-8-N-(2-methoxyethyl)pyrido[2,3-d]pyridazine-5,8-diamine

C17H19N5O — CID 71489821

IUPAC5-N-benzyl-8-N-(2-methoxyethyl)pyrido[2,3-d]pyridazine-5,8-diamine
SMILESCOCCNc1nnc(NCc2ccccc2)c2cccnc12
InChIInChI=1S/C17H19N5O/c1-23-11-10-19-17-15-14(8-5-9-18-15)16(21-22-17)20-12-13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyJUNRQYBXLSPLAL-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.70
Rot. Bonds7

About 5-N-benzyl-8-N-(2-methoxyethyl)pyrido[2,3-d]pyridazine-5,8-diamine

5-N-benzyl-8-N-(2-methoxyethyl)pyrido[2,3-d]pyridazine-5,8-diamine (PubChem CID 71489821) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-N-benzyl-8-N-(2-methoxyethyl)pyrido[2,3-d]pyridazine-5,8-diamine.

Molecular Properties

Compound Name5-N-benzyl-8-N-(2-methoxyethyl)pyrido[2,3-d]pyridazine-5,8-diamine
PubChem CID71489821
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name5-N-benzyl-8-N-(2-methoxyethyl)pyrido[2,3-d]pyridazine-5,8-diamine
SMILESCOCCNc1nnc(NCc2ccccc2)c2cccnc12
InChIInChI=1S/C17H19N5O/c1-23-11-10-19-17-15-14(8-5-9-18-15)16(21-22-17)20-12-13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyJUNRQYBXLSPLAL-UHFFFAOYSA-N
XLogP2.70
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-8-N-(2-methoxyethyl)pyrido[2,3-d]pyridazine-5,8-diamine?
The IUPAC name of 5-N-benzyl-8-N-(2-methoxyethyl)pyrido[2,3-d]pyridazine-5,8-diamine (CID 71489821) is 5-N-benzyl-8-N-(2-methoxyethyl)pyrido[2,3-d]pyridazine-5,8-diamine.
What is the SMILES notation for 5-N-benzyl-8-N-(2-methoxyethyl)pyrido[2,3-d]pyridazine-5,8-diamine?
The canonical SMILES for 5-N-benzyl-8-N-(2-methoxyethyl)pyrido[2,3-d]pyridazine-5,8-diamine is COCCNc1nnc(NCc2ccccc2)c2cccnc12.
What is the InChIKey of 5-N-benzyl-8-N-(2-methoxyethyl)pyrido[2,3-d]pyridazine-5,8-diamine?
The InChIKey is JUNRQYBXLSPLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-23-11-10-19-17-15-14(8-5-9-18-15)16(21-22-17)20-12-13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 5-N-benzyl-8-N-(2-methoxyethyl)pyrido[2,3-d]pyridazine-5,8-diamine?
5-N-benzyl-8-N-(2-methoxyethyl)pyrido[2,3-d]pyridazine-5,8-diamine has a molecular weight of 309.37 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-8-N-(2-methoxyethyl)pyrido[2,3-d]pyridazine-5,8-diamine is sourced from PubChem (CID 71489821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).