5-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine

C12H21N3O — CID 63048839

IUPAC5-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCCC1CCc2[nH]nc(NCCOC)c2C1
InChIInChI=1S/C12H21N3O/c1-3-9-4-5-11-10(8-9)12(15-14-11)13-6-7-16-2/h9H,3-8H2,1-2H3,(H2,13,14,15)
InChIKeyQDPLDJADJDYUQN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.98
Rot. Bonds5

About 5-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine

5-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine (PubChem CID 63048839) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine.

Molecular Properties

Compound Name5-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
PubChem CID63048839
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCCC1CCc2[nH]nc(NCCOC)c2C1
InChIInChI=1S/C12H21N3O/c1-3-9-4-5-11-10(8-9)12(15-14-11)13-6-7-16-2/h9H,3-8H2,1-2H3,(H2,13,14,15)
InChIKeyQDPLDJADJDYUQN-UHFFFAOYSA-N
XLogP1.98
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
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 5-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The IUPAC name of 5-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine (CID 63048839) is 5-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine.
What is the SMILES notation for 5-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The canonical SMILES for 5-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine is CCC1CCc2[nH]nc(NCCOC)c2C1.
What is the InChIKey of 5-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The InChIKey is QDPLDJADJDYUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-9-4-5-11-10(8-9)12(15-14-11)13-6-7-16-2/h9H,3-8H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
5-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine has a molecular weight of 223.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine is sourced from PubChem (CID 63048839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).