7-(4-aminocyclohexyl)-8-N-(4-propylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine

C21H28N6 — CID 68523042

IUPAC7-(4-aminocyclohexyl)-8-N-(4-propylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine
SMILESCCCc1ccc(Nc2c(C3CCC(N)CC3)c(N)nn3ccnc23)cc1
InChIInChI=1S/C21H28N6/c1-2-3-14-4-10-17(11-5-14)25-19-18(15-6-8-16(22)9-7-15)20(23)26-27-13-12-24-21(19)27/h4-5,10-13,15-16,25H,2-3,6-9,22H2,1H3,(H2,23,26)
InChIKeyJLZUSRRETMUWQE-UHFFFAOYSA-N
MW364.50 g/mol
LogP3.99
Rot. Bonds5

About 7-(4-aminocyclohexyl)-8-N-(4-propylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine

7-(4-aminocyclohexyl)-8-N-(4-propylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine (PubChem CID 68523042) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is 7-(4-aminocyclohexyl)-8-N-(4-propylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine.

Molecular Properties

Compound Name7-(4-aminocyclohexyl)-8-N-(4-propylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine
PubChem CID68523042
Molecular FormulaC21H28N6
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC Name7-(4-aminocyclohexyl)-8-N-(4-propylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine
SMILESCCCc1ccc(Nc2c(C3CCC(N)CC3)c(N)nn3ccnc23)cc1
InChIInChI=1S/C21H28N6/c1-2-3-14-4-10-17(11-5-14)25-19-18(15-6-8-16(22)9-7-15)20(23)26-27-13-12-24-21(19)27/h4-5,10-13,15-16,25H,2-3,6-9,22H2,1H3,(H2,23,26)
InChIKeyJLZUSRRETMUWQE-UHFFFAOYSA-N
XLogP3.99
TPSA94.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-(4-aminocyclohexyl)-8-N-(4-propylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The IUPAC name of 7-(4-aminocyclohexyl)-8-N-(4-propylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine (CID 68523042) is 7-(4-aminocyclohexyl)-8-N-(4-propylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine.
What is the SMILES notation for 7-(4-aminocyclohexyl)-8-N-(4-propylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The canonical SMILES for 7-(4-aminocyclohexyl)-8-N-(4-propylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine is CCCc1ccc(Nc2c(C3CCC(N)CC3)c(N)nn3ccnc23)cc1.
What is the InChIKey of 7-(4-aminocyclohexyl)-8-N-(4-propylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The InChIKey is JLZUSRRETMUWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6/c1-2-3-14-4-10-17(11-5-14)25-19-18(15-6-8-16(22)9-7-15)20(23)26-27-13-12-24-21(19)27/h4-5,10-13,15-16,25H,2-3,6-9,22H2,1H3,(H2,23,26).
What are the key properties of 7-(4-aminocyclohexyl)-8-N-(4-propylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine?
7-(4-aminocyclohexyl)-8-N-(4-propylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine has a molecular weight of 364.50 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminocyclohexyl)-8-N-(4-propylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine is sourced from PubChem (CID 68523042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).