2-[(4-chlorophenyl)methyl]imidazo[1,2-b]pyridazine-6,8-diamine

C13H12ClN5 — CID 71251699

IUPAC2-[(4-chlorophenyl)methyl]imidazo[1,2-b]pyridazine-6,8-diamine
SMILESNc1cc(N)c2nc(Cc3ccc(Cl)cc3)cn2n1
InChIInChI=1S/C13H12ClN5/c14-9-3-1-8(2-4-9)5-10-7-19-13(17-10)11(15)6-12(16)18-19/h1-4,6-7H,5,15H2,(H2,16,18)
InChIKeyOLIQKKBIBSBBOP-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.14
Rot. Bonds2

About 2-[(4-chlorophenyl)methyl]imidazo[1,2-b]pyridazine-6,8-diamine

2-[(4-chlorophenyl)methyl]imidazo[1,2-b]pyridazine-6,8-diamine (PubChem CID 71251699) has the molecular formula C13H12ClN5 and a molecular weight of 273.73 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]imidazo[1,2-b]pyridazine-6,8-diamine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]imidazo[1,2-b]pyridazine-6,8-diamine
PubChem CID71251699
Molecular FormulaC13H12ClN5
Molecular Weight273.73 g/mol
Exact Mass273.08
IUPAC Name2-[(4-chlorophenyl)methyl]imidazo[1,2-b]pyridazine-6,8-diamine
SMILESNc1cc(N)c2nc(Cc3ccc(Cl)cc3)cn2n1
InChIInChI=1S/C13H12ClN5/c14-9-3-1-8(2-4-9)5-10-7-19-13(17-10)11(15)6-12(16)18-19/h1-4,6-7H,5,15H2,(H2,16,18)
InChIKeyOLIQKKBIBSBBOP-UHFFFAOYSA-N
XLogP2.14
TPSA82.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-[(4-chlorophenyl)methyl]imidazo[1,2-b]pyridazine-6,8-diamine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]imidazo[1,2-b]pyridazine-6,8-diamine (CID 71251699) is 2-[(4-chlorophenyl)methyl]imidazo[1,2-b]pyridazine-6,8-diamine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]imidazo[1,2-b]pyridazine-6,8-diamine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]imidazo[1,2-b]pyridazine-6,8-diamine is Nc1cc(N)c2nc(Cc3ccc(Cl)cc3)cn2n1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]imidazo[1,2-b]pyridazine-6,8-diamine?
The InChIKey is OLIQKKBIBSBBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5/c14-9-3-1-8(2-4-9)5-10-7-19-13(17-10)11(15)6-12(16)18-19/h1-4,6-7H,5,15H2,(H2,16,18).
What are the key properties of 2-[(4-chlorophenyl)methyl]imidazo[1,2-b]pyridazine-6,8-diamine?
2-[(4-chlorophenyl)methyl]imidazo[1,2-b]pyridazine-6,8-diamine has a molecular weight of 273.73 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]imidazo[1,2-b]pyridazine-6,8-diamine is sourced from PubChem (CID 71251699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).