6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C14H16N8O — CID 171702464

IUPAC6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1cnc(N2CCN(c3ccc4nncn4n3)CC2)nc1
InChIInChI=1S/C14H16N8O/c1-23-11-8-15-14(16-9-11)21-6-4-20(5-7-21)13-3-2-12-18-17-10-22(12)19-13/h2-3,8-10H,4-7H2,1H3
InChIKeyOLACUPFPCDJOTI-UHFFFAOYSA-N
MW312.34 g/mol
LogP0.25
Rot. Bonds3

About 6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 171702464) has the molecular formula C14H16N8O and a molecular weight of 312.34 g/mol. Its IUPAC name is 6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID171702464
Molecular FormulaC14H16N8O
Molecular Weight312.34 g/mol
Exact Mass312.14
IUPAC Name6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1cnc(N2CCN(c3ccc4nncn4n3)CC2)nc1
InChIInChI=1S/C14H16N8O/c1-23-11-8-15-14(16-9-11)21-6-4-20(5-7-21)13-3-2-12-18-17-10-22(12)19-13/h2-3,8-10H,4-7H2,1H3
InChIKeyOLACUPFPCDJOTI-UHFFFAOYSA-N
XLogP0.25
TPSA84.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 171702464) is 6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is COc1cnc(N2CCN(c3ccc4nncn4n3)CC2)nc1.
What is the InChIKey of 6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is OLACUPFPCDJOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8O/c1-23-11-8-15-14(16-9-11)21-6-4-20(5-7-21)13-3-2-12-18-17-10-22(12)19-13/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 312.34 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 171702464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).