3-(1-methylindazol-4-yl)morpholine

C12H15N3O — CID 89484906

IUPAC3-(1-methylindazol-4-yl)morpholine
SMILESCn1ncc2c(C3COCCN3)cccc21
InChIInChI=1S/C12H15N3O/c1-15-12-4-2-3-9(10(12)7-14-15)11-8-16-6-5-13-11/h2-4,7,11,13H,5-6,8H2,1H3
InChIKeySDXUWEFSHJILCK-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.23
Rot. Bonds1

About 3-(1-methylindazol-4-yl)morpholine

3-(1-methylindazol-4-yl)morpholine (PubChem CID 89484906) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(1-methylindazol-4-yl)morpholine.

Molecular Properties

Compound Name3-(1-methylindazol-4-yl)morpholine
PubChem CID89484906
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-(1-methylindazol-4-yl)morpholine
SMILESCn1ncc2c(C3COCCN3)cccc21
InChIInChI=1S/C12H15N3O/c1-15-12-4-2-3-9(10(12)7-14-15)11-8-16-6-5-13-11/h2-4,7,11,13H,5-6,8H2,1H3
InChIKeySDXUWEFSHJILCK-UHFFFAOYSA-N
XLogP1.23
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindazol-4-yl)morpholine?
The IUPAC name of 3-(1-methylindazol-4-yl)morpholine (CID 89484906) is 3-(1-methylindazol-4-yl)morpholine.
What is the SMILES notation for 3-(1-methylindazol-4-yl)morpholine?
The canonical SMILES for 3-(1-methylindazol-4-yl)morpholine is Cn1ncc2c(C3COCCN3)cccc21.
What is the InChIKey of 3-(1-methylindazol-4-yl)morpholine?
The InChIKey is SDXUWEFSHJILCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-12-4-2-3-9(10(12)7-14-15)11-8-16-6-5-13-11/h2-4,7,11,13H,5-6,8H2,1H3.
What are the key properties of 3-(1-methylindazol-4-yl)morpholine?
3-(1-methylindazol-4-yl)morpholine has a molecular weight of 217.27 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindazol-4-yl)morpholine is sourced from PubChem (CID 89484906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).