3-(1H-indazol-3-yloxy)-N,N-dimethylpropan-1-amine

C12H17N3O — CID 10220074

IUPAC3-(1H-indazol-3-yloxy)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1n[nH]c2ccccc12
InChIInChI=1S/C12H17N3O/c1-15(2)8-5-9-16-12-10-6-3-4-7-11(10)13-14-12/h3-4,6-7H,5,8-9H2,1-2H3,(H,13,14)
InChIKeyGNRCKJSAOVNGOD-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.89
Rot. Bonds5

About 3-(1H-indazol-3-yloxy)-N,N-dimethylpropan-1-amine

3-(1H-indazol-3-yloxy)-N,N-dimethylpropan-1-amine (PubChem CID 10220074) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(1H-indazol-3-yloxy)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(1H-indazol-3-yloxy)-N,N-dimethylpropan-1-amine
PubChem CID10220074
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-(1H-indazol-3-yloxy)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1n[nH]c2ccccc12
InChIInChI=1S/C12H17N3O/c1-15(2)8-5-9-16-12-10-6-3-4-7-11(10)13-14-12/h3-4,6-7H,5,8-9H2,1-2H3,(H,13,14)
InChIKeyGNRCKJSAOVNGOD-UHFFFAOYSA-N
XLogP1.89
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-3-yloxy)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(1H-indazol-3-yloxy)-N,N-dimethylpropan-1-amine (CID 10220074) is 3-(1H-indazol-3-yloxy)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(1H-indazol-3-yloxy)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(1H-indazol-3-yloxy)-N,N-dimethylpropan-1-amine is CN(C)CCCOc1n[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indazol-3-yloxy)-N,N-dimethylpropan-1-amine?
The InChIKey is GNRCKJSAOVNGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15(2)8-5-9-16-12-10-6-3-4-7-11(10)13-14-12/h3-4,6-7H,5,8-9H2,1-2H3,(H,13,14).
What are the key properties of 3-(1H-indazol-3-yloxy)-N,N-dimethylpropan-1-amine?
3-(1H-indazol-3-yloxy)-N,N-dimethylpropan-1-amine has a molecular weight of 219.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-3-yloxy)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 10220074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).