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

C16H15N7O — CID 56778006

IUPAC2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-benzoxazole
SMILESc1ccc2oc(N3CCN(c4ccc5nncn5n4)CC3)nc2c1
InChIInChI=1S/C16H15N7O/c1-2-4-13-12(3-1)18-16(24-13)22-9-7-21(8-10-22)15-6-5-14-19-17-11-23(14)20-15/h1-6,11H,7-10H2
InChIKeyHYIHFTNIYZFIKK-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.59
Rot. Bonds2

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

2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-benzoxazole (PubChem CID 56778006) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-benzoxazole
PubChem CID56778006
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-benzoxazole
SMILESc1ccc2oc(N3CCN(c4ccc5nncn5n4)CC3)nc2c1
InChIInChI=1S/C16H15N7O/c1-2-4-13-12(3-1)18-16(24-13)22-9-7-21(8-10-22)15-6-5-14-19-17-11-23(14)20-15/h1-6,11H,7-10H2
InChIKeyHYIHFTNIYZFIKK-UHFFFAOYSA-N
XLogP1.59
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-1,3-benzoxazole
CID 154581141
2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole
CID 24805905
6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrido[2,3-b]pyrazine
CID 133281306
2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-benzoxazole
CID 36581573
2-propyl-4-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline
CID 133401378
2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
CID 11395660
2-(4-benzhydrylpiperazin-1-yl)-1,3-benzoxazole
CID 24632071
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 163352969
2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethanethioamide
CID 63337071
4-(1,3-benzoxazol-2-yl)-N,N-diethylpiperazine-1-sulfonamide
CID 33324562
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole
CID 51179578

Frequently Asked Questions

What is the IUPAC name of 2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-benzoxazole (CID 56778006) is 2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-benzoxazole is c1ccc2oc(N3CCN(c4ccc5nncn5n4)CC3)nc2c1.
What is the InChIKey of 2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-benzoxazole?
The InChIKey is HYIHFTNIYZFIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c1-2-4-13-12(3-1)18-16(24-13)22-9-7-21(8-10-22)15-6-5-14-19-17-11-23(14)20-15/h1-6,11H,7-10H2.
What are the key properties of 2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-benzoxazole?
2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-benzoxazole has a molecular weight of 321.34 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 56778006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).