(6R)-1,10-dimethyl-4-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C18H29N5O3 — CID 97206360

About (6R)-1,10-dimethyl-4-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

(6R)-1,10-dimethyl-4-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97206360) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (6R)-1,10-dimethyl-4-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

• Compound Name: (6R)-1,10-dimethyl-4-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
• PubChem CID: 97206360
• Molecular Formula: C18H29N5O3
• Molecular Weight: 363.46 g/mol
• Exact Mass: 363.23
• IUPAC Name: (6R)-1,10-dimethyl-4-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
• SMILES: CN1CC[C@]2(CCC1=O)CN(C(=O)CCC1=NNC(=O)CC1)CCN2C
• InChI: InChI=1S/C18H29N5O3/c1-21-10-9-18(8-7-16(21)25)13-23(12-11-22(18)2)17(26)6-4-14-3-5-15(24)20-19-14/h3-13H2,1-2H3,(H,20,24)/t18-/m1/s1
• InChIKey: GGINXGNWCBSPQK-GOSISDBHSA-N
• XLogP: 0.19
• TPSA: 85.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.46
LogP ≤ 5	0.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6R)-1,10-dimethyl-4-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?

The IUPAC name of (6R)-1,10-dimethyl-4-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97206360) is (6R)-1,10-dimethyl-4-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

What is the SMILES notation for (6R)-1,10-dimethyl-4-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?

The canonical SMILES for (6R)-1,10-dimethyl-4-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CC[C@]2(CCC1=O)CN(C(=O)CCC1=NNC(=O)CC1)CCN2C.

What is the InChIKey of (6R)-1,10-dimethyl-4-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?

The InChIKey is GGINXGNWCBSPQK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-21-10-9-18(8-7-16(21)25)13-23(12-11-22(18)2)17(26)6-4-14-3-5-15(24)20-19-14/h3-13H2,1-2H3,(H,20,24)/t18-/m1/s1.

What are the key properties of (6R)-1,10-dimethyl-4-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?

(6R)-1,10-dimethyl-4-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 363.46 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-1,10-dimethyl-4-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97206360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).