5-methyl-4-(5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-yloxymethyl)-1,2-oxazole

C12H14N4O2 — CID 175878598

IUPAC5-methyl-4-(5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-yloxymethyl)-1,2-oxazole
SMILESCc1oncc1COc1cc2c(nn1)CNCC2
InChIInChI=1S/C12H14N4O2/c1-8-10(5-14-18-8)7-17-12-4-9-2-3-13-6-11(9)15-16-12/h4-5,13H,2-3,6-7H2,1H3
InChIKeyXLMFMOSRMUKNKD-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.00
Rot. Bonds3

About 5-methyl-4-(5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-yloxymethyl)-1,2-oxazole

5-methyl-4-(5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-yloxymethyl)-1,2-oxazole (PubChem CID 175878598) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-methyl-4-(5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-yloxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-(5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-yloxymethyl)-1,2-oxazole
PubChem CID175878598
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-methyl-4-(5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-yloxymethyl)-1,2-oxazole
SMILESCc1oncc1COc1cc2c(nn1)CNCC2
InChIInChI=1S/C12H14N4O2/c1-8-10(5-14-18-8)7-17-12-4-9-2-3-13-6-11(9)15-16-12/h4-5,13H,2-3,6-7H2,1H3
InChIKeyXLMFMOSRMUKNKD-UHFFFAOYSA-N
XLogP1.00
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-yloxymethyl)-1,2-oxazole?
The IUPAC name of 5-methyl-4-(5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-yloxymethyl)-1,2-oxazole (CID 175878598) is 5-methyl-4-(5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-yloxymethyl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-(5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-yloxymethyl)-1,2-oxazole?
The canonical SMILES for 5-methyl-4-(5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-yloxymethyl)-1,2-oxazole is Cc1oncc1COc1cc2c(nn1)CNCC2.
What is the InChIKey of 5-methyl-4-(5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-yloxymethyl)-1,2-oxazole?
The InChIKey is XLMFMOSRMUKNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-10(5-14-18-8)7-17-12-4-9-2-3-13-6-11(9)15-16-12/h4-5,13H,2-3,6-7H2,1H3.
What are the key properties of 5-methyl-4-(5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-yloxymethyl)-1,2-oxazole?
5-methyl-4-(5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-yloxymethyl)-1,2-oxazole has a molecular weight of 246.27 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-yloxymethyl)-1,2-oxazole is sourced from PubChem (CID 175878598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).