2-(4-methyl-[1,3]oxazolo[5,4-c]pyridazin-6-yl)ethanamine

C8H10N4O — CID 82410081

IUPAC2-(4-methyl-[1,3]oxazolo[5,4-c]pyridazin-6-yl)ethanamine
SMILESCc1cnnc2oc(CCN)nc12
InChIInChI=1S/C8H10N4O/c1-5-4-10-12-8-7(5)11-6(13-8)2-3-9/h4H,2-3,9H2,1H3
InChIKeyCKCYVMHQNZEWIX-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.43
Rot. Bonds2

About 2-(4-methyl-[1,3]oxazolo[5,4-c]pyridazin-6-yl)ethanamine

2-(4-methyl-[1,3]oxazolo[5,4-c]pyridazin-6-yl)ethanamine (PubChem CID 82410081) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(4-methyl-[1,3]oxazolo[5,4-c]pyridazin-6-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methyl-[1,3]oxazolo[5,4-c]pyridazin-6-yl)ethanamine
PubChem CID82410081
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-(4-methyl-[1,3]oxazolo[5,4-c]pyridazin-6-yl)ethanamine
SMILESCc1cnnc2oc(CCN)nc12
InChIInChI=1S/C8H10N4O/c1-5-4-10-12-8-7(5)11-6(13-8)2-3-9/h4H,2-3,9H2,1H3
InChIKeyCKCYVMHQNZEWIX-UHFFFAOYSA-N
XLogP0.43
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-[1,3]oxazolo[5,4-c]pyridazin-6-yl)ethanamine?
The IUPAC name of 2-(4-methyl-[1,3]oxazolo[5,4-c]pyridazin-6-yl)ethanamine (CID 82410081) is 2-(4-methyl-[1,3]oxazolo[5,4-c]pyridazin-6-yl)ethanamine.
What is the SMILES notation for 2-(4-methyl-[1,3]oxazolo[5,4-c]pyridazin-6-yl)ethanamine?
The canonical SMILES for 2-(4-methyl-[1,3]oxazolo[5,4-c]pyridazin-6-yl)ethanamine is Cc1cnnc2oc(CCN)nc12.
What is the InChIKey of 2-(4-methyl-[1,3]oxazolo[5,4-c]pyridazin-6-yl)ethanamine?
The InChIKey is CKCYVMHQNZEWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5-4-10-12-8-7(5)11-6(13-8)2-3-9/h4H,2-3,9H2,1H3.
What are the key properties of 2-(4-methyl-[1,3]oxazolo[5,4-c]pyridazin-6-yl)ethanamine?
2-(4-methyl-[1,3]oxazolo[5,4-c]pyridazin-6-yl)ethanamine has a molecular weight of 178.19 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-[1,3]oxazolo[5,4-c]pyridazin-6-yl)ethanamine is sourced from PubChem (CID 82410081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).