6-N-(3-pyridin-3-ylphenyl)imidazo[1,2-b]pyridazine-3,6,8-triamine

C17H15N7 — CID 70901072

IUPAC6-N-(3-pyridin-3-ylphenyl)imidazo[1,2-b]pyridazine-3,6,8-triamine
SMILESNc1cc(Nc2cccc(-c3cccnc3)c2)nn2c(N)cnc12
InChIInChI=1S/C17H15N7/c18-14-8-16(23-24-15(19)10-21-17(14)24)22-13-5-1-3-11(7-13)12-4-2-6-20-9-12/h1-10H,18-19H2,(H,22,23)
InChIKeyHFYZPOZZJRPENP-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.70
Rot. Bonds3

About 6-N-(3-pyridin-3-ylphenyl)imidazo[1,2-b]pyridazine-3,6,8-triamine

6-N-(3-pyridin-3-ylphenyl)imidazo[1,2-b]pyridazine-3,6,8-triamine (PubChem CID 70901072) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 6-N-(3-pyridin-3-ylphenyl)imidazo[1,2-b]pyridazine-3,6,8-triamine.

Molecular Properties

Compound Name6-N-(3-pyridin-3-ylphenyl)imidazo[1,2-b]pyridazine-3,6,8-triamine
PubChem CID70901072
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name6-N-(3-pyridin-3-ylphenyl)imidazo[1,2-b]pyridazine-3,6,8-triamine
SMILESNc1cc(Nc2cccc(-c3cccnc3)c2)nn2c(N)cnc12
InChIInChI=1S/C17H15N7/c18-14-8-16(23-24-15(19)10-21-17(14)24)22-13-5-1-3-11(7-13)12-4-2-6-20-9-12/h1-10H,18-19H2,(H,22,23)
InChIKeyHFYZPOZZJRPENP-UHFFFAOYSA-N
XLogP2.70
TPSA107.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-(3-pyridin-3-ylphenyl)imidazo[1,2-b]pyridazine-3,6,8-triamine?
The IUPAC name of 6-N-(3-pyridin-3-ylphenyl)imidazo[1,2-b]pyridazine-3,6,8-triamine (CID 70901072) is 6-N-(3-pyridin-3-ylphenyl)imidazo[1,2-b]pyridazine-3,6,8-triamine.
What is the SMILES notation for 6-N-(3-pyridin-3-ylphenyl)imidazo[1,2-b]pyridazine-3,6,8-triamine?
The canonical SMILES for 6-N-(3-pyridin-3-ylphenyl)imidazo[1,2-b]pyridazine-3,6,8-triamine is Nc1cc(Nc2cccc(-c3cccnc3)c2)nn2c(N)cnc12.
What is the InChIKey of 6-N-(3-pyridin-3-ylphenyl)imidazo[1,2-b]pyridazine-3,6,8-triamine?
The InChIKey is HFYZPOZZJRPENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c18-14-8-16(23-24-15(19)10-21-17(14)24)22-13-5-1-3-11(7-13)12-4-2-6-20-9-12/h1-10H,18-19H2,(H,22,23).
What are the key properties of 6-N-(3-pyridin-3-ylphenyl)imidazo[1,2-b]pyridazine-3,6,8-triamine?
6-N-(3-pyridin-3-ylphenyl)imidazo[1,2-b]pyridazine-3,6,8-triamine has a molecular weight of 317.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-pyridin-3-ylphenyl)imidazo[1,2-b]pyridazine-3,6,8-triamine is sourced from PubChem (CID 70901072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).