2-[(5-amino-1-methylindazol-4-yl)-methylamino]ethanol

C11H16N4O — CID 139415206

IUPAC2-[(5-amino-1-methylindazol-4-yl)-methylamino]ethanol
SMILESCN(CCO)c1c(N)ccc2c1cnn2C
InChIInChI=1S/C11H16N4O/c1-14(5-6-16)11-8-7-13-15(2)10(8)4-3-9(11)12/h3-4,7,16H,5-6,12H2,1-2H3
InChIKeyLLPXAMVRGZUIGV-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.58
Rot. Bonds3

About 2-[(5-amino-1-methylindazol-4-yl)-methylamino]ethanol

2-[(5-amino-1-methylindazol-4-yl)-methylamino]ethanol (PubChem CID 139415206) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-[(5-amino-1-methylindazol-4-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-1-methylindazol-4-yl)-methylamino]ethanol
PubChem CID139415206
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-[(5-amino-1-methylindazol-4-yl)-methylamino]ethanol
SMILESCN(CCO)c1c(N)ccc2c1cnn2C
InChIInChI=1S/C11H16N4O/c1-14(5-6-16)11-8-7-13-15(2)10(8)4-3-9(11)12/h3-4,7,16H,5-6,12H2,1-2H3
InChIKeyLLPXAMVRGZUIGV-UHFFFAOYSA-N
XLogP0.58
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1-methylindazol-4-yl)-methylamino]ethanol?
The IUPAC name of 2-[(5-amino-1-methylindazol-4-yl)-methylamino]ethanol (CID 139415206) is 2-[(5-amino-1-methylindazol-4-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(5-amino-1-methylindazol-4-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(5-amino-1-methylindazol-4-yl)-methylamino]ethanol is CN(CCO)c1c(N)ccc2c1cnn2C.
What is the InChIKey of 2-[(5-amino-1-methylindazol-4-yl)-methylamino]ethanol?
The InChIKey is LLPXAMVRGZUIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-14(5-6-16)11-8-7-13-15(2)10(8)4-3-9(11)12/h3-4,7,16H,5-6,12H2,1-2H3.
What are the key properties of 2-[(5-amino-1-methylindazol-4-yl)-methylamino]ethanol?
2-[(5-amino-1-methylindazol-4-yl)-methylamino]ethanol has a molecular weight of 220.28 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1-methylindazol-4-yl)-methylamino]ethanol is sourced from PubChem (CID 139415206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).