8-N-cyclopropyl-6-N-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine

C17H19N5O2 — CID 121419427

IUPAC8-N-cyclopropyl-6-N-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine
SMILESCOc1ccc(Nc2cc(NC3CC3)c3nccn3n2)cc1OC
InChIInChI=1S/C17H19N5O2/c1-23-14-6-5-12(9-15(14)24-2)20-16-10-13(19-11-3-4-11)17-18-7-8-22(17)21-16/h5-11,19H,3-4H2,1-2H3,(H,20,21)
InChIKeyNMWZWGJCKJWOQL-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.06
Rot. Bonds6

About 8-N-cyclopropyl-6-N-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine

8-N-cyclopropyl-6-N-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine (PubChem CID 121419427) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 8-N-cyclopropyl-6-N-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine.

Molecular Properties

Compound Name8-N-cyclopropyl-6-N-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine
PubChem CID121419427
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name8-N-cyclopropyl-6-N-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine
SMILESCOc1ccc(Nc2cc(NC3CC3)c3nccn3n2)cc1OC
InChIInChI=1S/C17H19N5O2/c1-23-14-6-5-12(9-15(14)24-2)20-16-10-13(19-11-3-4-11)17-18-7-8-22(17)21-16/h5-11,19H,3-4H2,1-2H3,(H,20,21)
InChIKeyNMWZWGJCKJWOQL-UHFFFAOYSA-N
XLogP3.06
TPSA72.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
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 8-N-cyclopropyl-6-N-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The IUPAC name of 8-N-cyclopropyl-6-N-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine (CID 121419427) is 8-N-cyclopropyl-6-N-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine.
What is the SMILES notation for 8-N-cyclopropyl-6-N-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The canonical SMILES for 8-N-cyclopropyl-6-N-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine is COc1ccc(Nc2cc(NC3CC3)c3nccn3n2)cc1OC.
What is the InChIKey of 8-N-cyclopropyl-6-N-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The InChIKey is NMWZWGJCKJWOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-23-14-6-5-12(9-15(14)24-2)20-16-10-13(19-11-3-4-11)17-18-7-8-22(17)21-16/h5-11,19H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 8-N-cyclopropyl-6-N-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine?
8-N-cyclopropyl-6-N-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine has a molecular weight of 325.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-cyclopropyl-6-N-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine is sourced from PubChem (CID 121419427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).