3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine

C₁₉H₃₂N₆O — CID 164855642

About 3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine

3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine (PubChem CID 164855642) has the molecular formula C₁₉H₃₂N₆O and a molecular weight of 360.51 g/mol. Its IUPAC name is 3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine.

Molecular Properties

• Compound Name: 3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
• PubChem CID: 164855642
• Molecular Formula: C₁₉H₃₂N₆O
• Molecular Weight: 360.51 g/mol
• Exact Mass: 360.26
• IUPAC Name: 3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
• SMILES: CCCCc1nc2c(N)nnc(OC(C)C)c2n1C[C@H]1CCC[C@@H](N)C1
• InChI: InChI=1S/C19H32N6O/c1-4-5-9-15-22-16-17(19(26-12(2)3)24-23-18(16)21)25(15)11-13-7-6-8-14(20)10-13/h12-14H,4-11,20H2,1-3H3,(H2,21,23)/t13-,14+/m0/s1
• InChIKey: VGHNCGPXHDSGIM-UONOGXRCSA-N
• XLogP: 3.06
• TPSA: 104.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.51
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine?

The IUPAC name of 3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine (CID 164855642) is 3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine.

What is the SMILES notation for 3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine?

The canonical SMILES for 3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine is CCCCc1nc2c(N)nnc(OC(C)C)c2n1C[C@H]1CCC[C@@H](N)C1.

What is the InChIKey of 3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine?

The InChIKey is VGHNCGPXHDSGIM-UONOGXRCSA-N. The full InChI is InChI=1S/C19H32N6O/c1-4-5-9-15-22-16-17(19(26-12(2)3)24-23-18(16)21)25(15)11-13-7-6-8-14(20)10-13/h12-14H,4-11,20H2,1-3H3,(H2,21,23)/t13-,14+/m0/s1.

What are the key properties of 3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine?

3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine has a molecular weight of 360.51 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine is sourced from PubChem (CID 164855642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 164855642 — identifiers, structure, computed properties (public domain)

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