6-cyclopropyloxy-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine;ethane

C12H18N4O — CID 91504680

IUPAC6-cyclopropyloxy-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine;ethane
SMILESCC.CCc1nnc2ccc(OC3CC3)nn12
InChIInChI=1S/C10H12N4O.C2H6/c1-2-8-11-12-9-5-6-10(13-14(8)9)15-7-3-4-7;1-2/h5-7H,2-4H2,1H3;1-2H3
InChIKeyZXPUWAORBPXKBH-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.25
Rot. Bonds3

About 6-cyclopropyloxy-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine;ethane

6-cyclopropyloxy-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine;ethane (PubChem CID 91504680) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-cyclopropyloxy-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine;ethane.

Molecular Properties

Compound Name6-cyclopropyloxy-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine;ethane
PubChem CID91504680
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name6-cyclopropyloxy-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine;ethane
SMILESCC.CCc1nnc2ccc(OC3CC3)nn12
InChIInChI=1S/C10H12N4O.C2H6/c1-2-8-11-12-9-5-6-10(13-14(8)9)15-7-3-4-7;1-2/h5-7H,2-4H2,1H3;1-2H3
InChIKeyZXPUWAORBPXKBH-UHFFFAOYSA-N
XLogP2.25
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyloxy-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine;ethane?
The IUPAC name of 6-cyclopropyloxy-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine;ethane (CID 91504680) is 6-cyclopropyloxy-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine;ethane.
What is the SMILES notation for 6-cyclopropyloxy-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine;ethane?
The canonical SMILES for 6-cyclopropyloxy-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine;ethane is CC.CCc1nnc2ccc(OC3CC3)nn12.
What is the InChIKey of 6-cyclopropyloxy-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine;ethane?
The InChIKey is ZXPUWAORBPXKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O.C2H6/c1-2-8-11-12-9-5-6-10(13-14(8)9)15-7-3-4-7;1-2/h5-7H,2-4H2,1H3;1-2H3.
What are the key properties of 6-cyclopropyloxy-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine;ethane?
6-cyclopropyloxy-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine;ethane has a molecular weight of 234.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyloxy-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine;ethane is sourced from PubChem (CID 91504680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).