6-N-(4-aminocyclohexyl)-8-N-(4-chloro-3-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine

C19H23ClN6 — CID 91476034

IUPAC6-N-(4-aminocyclohexyl)-8-N-(4-chloro-3-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine
SMILESCc1cc(Nc2cc(NC3CCC(N)CC3)nn3ccnc23)ccc1Cl
InChIInChI=1S/C19H23ClN6/c1-12-10-15(6-7-16(12)20)23-17-11-18(25-26-9-8-22-19(17)26)24-14-4-2-13(21)3-5-14/h6-11,13-14,23H,2-5,21H2,1H3,(H,24,25)
InChIKeyGBXZEPVASCWLDS-UHFFFAOYSA-N
MW370.89 g/mol
LogP4.12
Rot. Bonds4

About 6-N-(4-aminocyclohexyl)-8-N-(4-chloro-3-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine

6-N-(4-aminocyclohexyl)-8-N-(4-chloro-3-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine (PubChem CID 91476034) has the molecular formula C19H23ClN6 and a molecular weight of 370.89 g/mol. Its IUPAC name is 6-N-(4-aminocyclohexyl)-8-N-(4-chloro-3-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine.

Molecular Properties

Compound Name6-N-(4-aminocyclohexyl)-8-N-(4-chloro-3-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine
PubChem CID91476034
Molecular FormulaC19H23ClN6
Molecular Weight370.89 g/mol
Exact Mass370.17
IUPAC Name6-N-(4-aminocyclohexyl)-8-N-(4-chloro-3-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine
SMILESCc1cc(Nc2cc(NC3CCC(N)CC3)nn3ccnc23)ccc1Cl
InChIInChI=1S/C19H23ClN6/c1-12-10-15(6-7-16(12)20)23-17-11-18(25-26-9-8-22-19(17)26)24-14-4-2-13(21)3-5-14/h6-11,13-14,23H,2-5,21H2,1H3,(H,24,25)
InChIKeyGBXZEPVASCWLDS-UHFFFAOYSA-N
XLogP4.12
TPSA80.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.89
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(4-aminocyclohexyl)-8-N-(4-chloro-3-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The IUPAC name of 6-N-(4-aminocyclohexyl)-8-N-(4-chloro-3-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine (CID 91476034) is 6-N-(4-aminocyclohexyl)-8-N-(4-chloro-3-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine.
What is the SMILES notation for 6-N-(4-aminocyclohexyl)-8-N-(4-chloro-3-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The canonical SMILES for 6-N-(4-aminocyclohexyl)-8-N-(4-chloro-3-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine is Cc1cc(Nc2cc(NC3CCC(N)CC3)nn3ccnc23)ccc1Cl.
What is the InChIKey of 6-N-(4-aminocyclohexyl)-8-N-(4-chloro-3-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The InChIKey is GBXZEPVASCWLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6/c1-12-10-15(6-7-16(12)20)23-17-11-18(25-26-9-8-22-19(17)26)24-14-4-2-13(21)3-5-14/h6-11,13-14,23H,2-5,21H2,1H3,(H,24,25).
What are the key properties of 6-N-(4-aminocyclohexyl)-8-N-(4-chloro-3-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine?
6-N-(4-aminocyclohexyl)-8-N-(4-chloro-3-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine has a molecular weight of 370.89 g/mol, XLogP of 4.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-aminocyclohexyl)-8-N-(4-chloro-3-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine is sourced from PubChem (CID 91476034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).