N-[(2R)-1-[(7-amino-3-methylbenzotriazol-5-yl)methoxy]propan-2-yl]-6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxamide

C19H21ClN8O2 — CID 169191267

About N-[(2R)-1-[(7-amino-3-methylbenzotriazol-5-yl)methoxy]propan-2-yl]-6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxamide

N-[(2R)-1-[(7-amino-3-methylbenzotriazol-5-yl)methoxy]propan-2-yl]-6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 169191267) has the molecular formula C19H21ClN8O2 and a molecular weight of 428.88 g/mol. Its IUPAC name is N-[(2R)-1-[(7-amino-3-methylbenzotriazol-5-yl)methoxy]propan-2-yl]-6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[(7-amino-3-methylbenzotriazol-5-yl)methoxy]propan-2-yl]-6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 169191267
• Molecular Formula: C19H21ClN8O2
• Molecular Weight: 428.88 g/mol
• Exact Mass: 428.15
• IUPAC Name: N-[(2R)-1-[(7-amino-3-methylbenzotriazol-5-yl)methoxy]propan-2-yl]-6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: Cc1nc2ccc(Cl)nn2c1C(=O)N[C@H](C)COCc1cc(N)c2nnn(C)c2c1
• InChI: InChI=1S/C19H21ClN8O2/c1-10(8-30-9-12-6-13(21)17-14(7-12)27(3)26-24-17)22-19(29)18-11(2)23-16-5-4-15(20)25-28(16)18/h4-7,10H,8-9,21H2,1-3H3,(H,22,29)/t10-/m1/s1
• InChIKey: ALJOVJZRMYIDNL-SNVBAGLBSA-N
• XLogP: 1.89
• TPSA: 125.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.88
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(7-amino-3-methylbenzotriazol-5-yl)methoxy]propan-2-yl]-6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of N-[(2R)-1-[(7-amino-3-methylbenzotriazol-5-yl)methoxy]propan-2-yl]-6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxamide (CID 169191267) is N-[(2R)-1-[(7-amino-3-methylbenzotriazol-5-yl)methoxy]propan-2-yl]-6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for N-[(2R)-1-[(7-amino-3-methylbenzotriazol-5-yl)methoxy]propan-2-yl]-6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for N-[(2R)-1-[(7-amino-3-methylbenzotriazol-5-yl)methoxy]propan-2-yl]-6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxamide is Cc1nc2ccc(Cl)nn2c1C(=O)N[C@H](C)COCc1cc(N)c2nnn(C)c2c1.

What is the InChIKey of N-[(2R)-1-[(7-amino-3-methylbenzotriazol-5-yl)methoxy]propan-2-yl]-6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is ALJOVJZRMYIDNL-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H21ClN8O2/c1-10(8-30-9-12-6-13(21)17-14(7-12)27(3)26-24-17)22-19(29)18-11(2)23-16-5-4-15(20)25-28(16)18/h4-7,10H,8-9,21H2,1-3H3,(H,22,29)/t10-/m1/s1.

What are the key properties of N-[(2R)-1-[(7-amino-3-methylbenzotriazol-5-yl)methoxy]propan-2-yl]-6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxamide?

N-[(2R)-1-[(7-amino-3-methylbenzotriazol-5-yl)methoxy]propan-2-yl]-6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 428.88 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[(7-amino-3-methylbenzotriazol-5-yl)methoxy]propan-2-yl]-6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 169191267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).