3-(5-amino-6-methoxyindazol-2-yl)propan-1-ol

C11H15N3O2 — CID 129283930

IUPAC3-(5-amino-6-methoxyindazol-2-yl)propan-1-ol
SMILESCOc1cc2nn(CCCO)cc2cc1N
InChIInChI=1S/C11H15N3O2/c1-16-11-6-10-8(5-9(11)12)7-14(13-10)3-2-4-15/h5-7,15H,2-4,12H2,1H3
InChIKeyRSGHBHTWVQNNBM-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.01
Rot. Bonds4

About 3-(5-amino-6-methoxyindazol-2-yl)propan-1-ol

3-(5-amino-6-methoxyindazol-2-yl)propan-1-ol (PubChem CID 129283930) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(5-amino-6-methoxyindazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-amino-6-methoxyindazol-2-yl)propan-1-ol
PubChem CID129283930
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-(5-amino-6-methoxyindazol-2-yl)propan-1-ol
SMILESCOc1cc2nn(CCCO)cc2cc1N
InChIInChI=1S/C11H15N3O2/c1-16-11-6-10-8(5-9(11)12)7-14(13-10)3-2-4-15/h5-7,15H,2-4,12H2,1H3
InChIKeyRSGHBHTWVQNNBM-UHFFFAOYSA-N
XLogP1.01
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.01
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 3-(5-amino-6-methoxyindazol-2-yl)propan-1-ol?
The IUPAC name of 3-(5-amino-6-methoxyindazol-2-yl)propan-1-ol (CID 129283930) is 3-(5-amino-6-methoxyindazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(5-amino-6-methoxyindazol-2-yl)propan-1-ol?
The canonical SMILES for 3-(5-amino-6-methoxyindazol-2-yl)propan-1-ol is COc1cc2nn(CCCO)cc2cc1N.
What is the InChIKey of 3-(5-amino-6-methoxyindazol-2-yl)propan-1-ol?
The InChIKey is RSGHBHTWVQNNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-16-11-6-10-8(5-9(11)12)7-14(13-10)3-2-4-15/h5-7,15H,2-4,12H2,1H3.
What are the key properties of 3-(5-amino-6-methoxyindazol-2-yl)propan-1-ol?
3-(5-amino-6-methoxyindazol-2-yl)propan-1-ol has a molecular weight of 221.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-6-methoxyindazol-2-yl)propan-1-ol is sourced from PubChem (CID 129283930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).