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

C19H20N6O — CID 134803650

IUPACcyclopropyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1
InChIInChI=1S/C19H20N6O/c26-19(15-6-7-15)24-12-10-23(11-13-24)17-9-8-16-20-21-18(25(16)22-17)14-4-2-1-3-5-14/h1-5,8-9,15H,6-7,10-13H2
InChIKeyPLQLIZKQVKWRQB-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.85
Rot. Bonds3

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

cyclopropyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone (PubChem CID 134803650) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is cyclopropyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
PubChem CID134803650
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Namecyclopropyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1
InChIInChI=1S/C19H20N6O/c26-19(15-6-7-15)24-12-10-23(11-13-24)17-9-8-16-20-21-18(25(16)22-17)14-4-2-1-3-5-14/h1-5,8-9,15H,6-7,10-13H2
InChIKeyPLQLIZKQVKWRQB-UHFFFAOYSA-N
XLogP1.85
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone (CID 134803650) is cyclopropyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1.
What is the InChIKey of cyclopropyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone?
The InChIKey is PLQLIZKQVKWRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c26-19(15-6-7-15)24-12-10-23(11-13-24)17-9-8-16-20-21-18(25(16)22-17)14-4-2-1-3-5-14/h1-5,8-9,15H,6-7,10-13H2.
What are the key properties of cyclopropyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone?
cyclopropyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone has a molecular weight of 348.41 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 134803650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).