[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

C18H22N8O2 — CID 91627617

IUPAC[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCC(Oc4ccc(N(C)C)nn4)C3)nc2n1
InChIInChI=1S/C18H22N8O2/c1-11-9-12(2)26-18(19-11)20-16(23-26)17(27)25-8-7-13(10-25)28-15-6-5-14(21-22-15)24(3)4/h5-6,9,13H,7-8,10H2,1-4H3
InChIKeyXQJYUJRFUNXASE-UHFFFAOYSA-N
MW382.43 g/mol
LogP0.89
Rot. Bonds4

About [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 91627617) has the molecular formula C18H22N8O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID91627617
Molecular FormulaC18H22N8O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC Name[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCC(Oc4ccc(N(C)C)nn4)C3)nc2n1
InChIInChI=1S/C18H22N8O2/c1-11-9-12(2)26-18(19-11)20-16(23-26)17(27)25-8-7-13(10-25)28-15-6-5-14(21-22-15)24(3)4/h5-6,9,13H,7-8,10H2,1-4H3
InChIKeyXQJYUJRFUNXASE-UHFFFAOYSA-N
XLogP0.89
TPSA101.64 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (CID 91627617) is [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is Cc1cc(C)n2nc(C(=O)N3CCC(Oc4ccc(N(C)C)nn4)C3)nc2n1.
What is the InChIKey of [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is XQJYUJRFUNXASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O2/c1-11-9-12(2)26-18(19-11)20-16(23-26)17(27)25-8-7-13(10-25)28-15-6-5-14(21-22-15)24(3)4/h5-6,9,13H,7-8,10H2,1-4H3.
What are the key properties of [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 382.43 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 91627617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).