3-morpholin-4-yl-1H-indazol-5-amine

C11H14N4O — CID 3079858

IUPAC3-morpholin-4-yl-1H-indazol-5-amine
SMILESNc1ccc2[nH]nc(N3CCOCC3)c2c1
InChIInChI=1S/C11H14N4O/c12-8-1-2-10-9(7-8)11(14-13-10)15-3-5-16-6-4-15/h1-2,7H,3-6,12H2,(H,13,14)
InChIKeyKUEPYBZBAYWJHD-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.98
Rot. Bonds1

About 3-morpholin-4-yl-1H-indazol-5-amine

3-morpholin-4-yl-1H-indazol-5-amine (PubChem CID 3079858) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-morpholin-4-yl-1H-indazol-5-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-1H-indazol-5-amine
PubChem CID3079858
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-morpholin-4-yl-1H-indazol-5-amine
SMILESNc1ccc2[nH]nc(N3CCOCC3)c2c1
InChIInChI=1S/C11H14N4O/c12-8-1-2-10-9(7-8)11(14-13-10)15-3-5-16-6-4-15/h1-2,7H,3-6,12H2,(H,13,14)
InChIKeyKUEPYBZBAYWJHD-UHFFFAOYSA-N
XLogP0.98
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1H-indazol-5-amine?
The IUPAC name of 3-morpholin-4-yl-1H-indazol-5-amine (CID 3079858) is 3-morpholin-4-yl-1H-indazol-5-amine.
What is the SMILES notation for 3-morpholin-4-yl-1H-indazol-5-amine?
The canonical SMILES for 3-morpholin-4-yl-1H-indazol-5-amine is Nc1ccc2[nH]nc(N3CCOCC3)c2c1.
What is the InChIKey of 3-morpholin-4-yl-1H-indazol-5-amine?
The InChIKey is KUEPYBZBAYWJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-8-1-2-10-9(7-8)11(14-13-10)15-3-5-16-6-4-15/h1-2,7H,3-6,12H2,(H,13,14).
What are the key properties of 3-morpholin-4-yl-1H-indazol-5-amine?
3-morpholin-4-yl-1H-indazol-5-amine has a molecular weight of 218.26 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1H-indazol-5-amine is sourced from PubChem (CID 3079858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).