(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone

C17H24N4O — CID 95600286

About (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone

(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone (PubChem CID 95600286) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone.

Molecular Properties

• Compound Name: (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone
• PubChem CID: 95600286
• Molecular Formula: C17H24N4O
• Molecular Weight: 300.41 g/mol
• Exact Mass: 300.20
• IUPAC Name: (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone
• SMILES: CC(C)=C[C@H]1[C@H](C(=O)N2CCc3nnc(N)cc3C2)C1(C)C
• InChI: InChI=1S/C17H24N4O/c1-10(2)7-12-15(17(12,3)4)16(22)21-6-5-13-11(9-21)8-14(18)20-19-13/h7-8,12,15H,5-6,9H2,1-4H3,(H2,18,20)/t12-,15+/m0/s1
• InChIKey: QIUDEVXRGGKIEA-SWLSCSKDSA-N
• XLogP: 2.18
• TPSA: 72.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.41
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone?

The IUPAC name of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone (CID 95600286) is (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone.

What is the SMILES notation for (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone?

The canonical SMILES for (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone is CC(C)=C[C@H]1[C@H](C(=O)N2CCc3nnc(N)cc3C2)C1(C)C.

What is the InChIKey of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone?

The InChIKey is QIUDEVXRGGKIEA-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H24N4O/c1-10(2)7-12-15(17(12,3)4)16(22)21-6-5-13-11(9-21)8-14(18)20-19-13/h7-8,12,15H,5-6,9H2,1-4H3,(H2,18,20)/t12-,15+/m0/s1.

What are the key properties of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone?

(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone has a molecular weight of 300.41 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone is sourced from PubChem (CID 95600286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).