[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

C18H21N7O2 — CID 134801911

IUPAC[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1
InChIInChI=1S/C18H21N7O2/c1-11-16(12(2)27-22-11)18(26)24-9-7-23(8-10-24)15-6-5-14-19-20-17(13-3-4-13)25(14)21-15/h5-6,13H,3-4,7-10H2,1-2H3
InChIKeyCAYNYYCYVJGOJF-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.57
Rot. Bonds3

About [4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (PubChem CID 134801911) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is [4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
PubChem CID134801911
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1
InChIInChI=1S/C18H21N7O2/c1-11-16(12(2)27-22-11)18(26)24-9-7-23(8-10-24)15-6-5-14-19-20-17(13-3-4-13)25(14)21-15/h5-6,13H,3-4,7-10H2,1-2H3
InChIKeyCAYNYYCYVJGOJF-UHFFFAOYSA-N
XLogP1.57
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (CID 134801911) is [4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is Cc1noc(C)c1C(=O)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1.
What is the InChIKey of [4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The InChIKey is CAYNYYCYVJGOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-11-16(12(2)27-22-11)18(26)24-9-7-23(8-10-24)15-6-5-14-19-20-17(13-3-4-13)25(14)21-15/h5-6,13H,3-4,7-10H2,1-2H3.
What are the key properties of [4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone has a molecular weight of 367.41 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 134801911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).