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

C19H24N6 — CID 68678312

IUPAC2-(4-aminocyclohexyl)-8-N-(2-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine
SMILESCc1ccccc1Nc1cc(N)nn2cc(C3CCC(N)CC3)nc12
InChIInChI=1S/C19H24N6/c1-12-4-2-3-5-15(12)22-16-10-18(21)24-25-11-17(23-19(16)25)13-6-8-14(20)9-7-13/h2-5,10-11,13-14,22H,6-9,20H2,1H3,(H2,21,24)
InChIKeyNSKBCWYUWVQOKN-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.35
Rot. Bonds3

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

2-(4-aminocyclohexyl)-8-N-(2-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine (PubChem CID 68678312) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)-8-N-(2-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)-8-N-(2-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine
PubChem CID68678312
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name2-(4-aminocyclohexyl)-8-N-(2-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine
SMILESCc1ccccc1Nc1cc(N)nn2cc(C3CCC(N)CC3)nc12
InChIInChI=1S/C19H24N6/c1-12-4-2-3-5-15(12)22-16-10-18(21)24-25-11-17(23-19(16)25)13-6-8-14(20)9-7-13/h2-5,10-11,13-14,22H,6-9,20H2,1H3,(H2,21,24)
InChIKeyNSKBCWYUWVQOKN-UHFFFAOYSA-N
XLogP3.35
TPSA94.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.35
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 2-(4-aminocyclohexyl)-8-N-(2-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The IUPAC name of 2-(4-aminocyclohexyl)-8-N-(2-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine (CID 68678312) is 2-(4-aminocyclohexyl)-8-N-(2-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine.
What is the SMILES notation for 2-(4-aminocyclohexyl)-8-N-(2-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The canonical SMILES for 2-(4-aminocyclohexyl)-8-N-(2-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine is Cc1ccccc1Nc1cc(N)nn2cc(C3CCC(N)CC3)nc12.
What is the InChIKey of 2-(4-aminocyclohexyl)-8-N-(2-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The InChIKey is NSKBCWYUWVQOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-12-4-2-3-5-15(12)22-16-10-18(21)24-25-11-17(23-19(16)25)13-6-8-14(20)9-7-13/h2-5,10-11,13-14,22H,6-9,20H2,1H3,(H2,21,24).
What are the key properties of 2-(4-aminocyclohexyl)-8-N-(2-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine?
2-(4-aminocyclohexyl)-8-N-(2-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine has a molecular weight of 336.44 g/mol, XLogP of 3.35, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)-8-N-(2-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine is sourced from PubChem (CID 68678312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).