methyl 4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxylate

C12H16N6O2 — CID 134797037

IUPACmethyl 4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ccc3nnc(C)n3n2)CC1
InChIInChI=1S/C12H16N6O2/c1-9-13-14-10-3-4-11(15-18(9)10)16-5-7-17(8-6-16)12(19)20-2/h3-4H,5-8H2,1-2H3
InChIKeyFWTCQTHXIXFGIH-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.32
Rot. Bonds1

About methyl 4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxylate

methyl 4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxylate (PubChem CID 134797037) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is methyl 4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxylate
PubChem CID134797037
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Namemethyl 4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ccc3nnc(C)n3n2)CC1
InChIInChI=1S/C12H16N6O2/c1-9-13-14-10-3-4-11(15-18(9)10)16-5-7-17(8-6-16)12(19)20-2/h3-4H,5-8H2,1-2H3
InChIKeyFWTCQTHXIXFGIH-UHFFFAOYSA-N
XLogP0.32
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxylate (CID 134797037) is methyl 4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxylate is COC(=O)N1CCN(c2ccc3nnc(C)n3n2)CC1.
What is the InChIKey of methyl 4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxylate?
The InChIKey is FWTCQTHXIXFGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-9-13-14-10-3-4-11(15-18(9)10)16-5-7-17(8-6-16)12(19)20-2/h3-4H,5-8H2,1-2H3.
What are the key properties of methyl 4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxylate?
methyl 4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxylate has a molecular weight of 276.30 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxylate is sourced from PubChem (CID 134797037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).