7-(2-aminoethyl)-2-ethyl-1H-indazol-3-one

C11H15N3O — CID 105457706

IUPAC7-(2-aminoethyl)-2-ethyl-1H-indazol-3-one
SMILESCCn1[nH]c2c(CCN)cccc2c1=O
InChIInChI=1S/C11H15N3O/c1-2-14-11(15)9-5-3-4-8(6-7-12)10(9)13-14/h3-5,13H,2,6-7,12H2,1H3
InChIKeyFWZPVQFQCMGGAM-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.85
Rot. Bonds3

About 7-(2-aminoethyl)-2-ethyl-1H-indazol-3-one

7-(2-aminoethyl)-2-ethyl-1H-indazol-3-one (PubChem CID 105457706) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 7-(2-aminoethyl)-2-ethyl-1H-indazol-3-one.

Molecular Properties

Compound Name7-(2-aminoethyl)-2-ethyl-1H-indazol-3-one
PubChem CID105457706
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name7-(2-aminoethyl)-2-ethyl-1H-indazol-3-one
SMILESCCn1[nH]c2c(CCN)cccc2c1=O
InChIInChI=1S/C11H15N3O/c1-2-14-11(15)9-5-3-4-8(6-7-12)10(9)13-14/h3-5,13H,2,6-7,12H2,1H3
InChIKeyFWZPVQFQCMGGAM-UHFFFAOYSA-N
XLogP0.85
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-2-ethyl-1H-indazol-3-one?
The IUPAC name of 7-(2-aminoethyl)-2-ethyl-1H-indazol-3-one (CID 105457706) is 7-(2-aminoethyl)-2-ethyl-1H-indazol-3-one.
What is the SMILES notation for 7-(2-aminoethyl)-2-ethyl-1H-indazol-3-one?
The canonical SMILES for 7-(2-aminoethyl)-2-ethyl-1H-indazol-3-one is CCn1[nH]c2c(CCN)cccc2c1=O.
What is the InChIKey of 7-(2-aminoethyl)-2-ethyl-1H-indazol-3-one?
The InChIKey is FWZPVQFQCMGGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-14-11(15)9-5-3-4-8(6-7-12)10(9)13-14/h3-5,13H,2,6-7,12H2,1H3.
What are the key properties of 7-(2-aminoethyl)-2-ethyl-1H-indazol-3-one?
7-(2-aminoethyl)-2-ethyl-1H-indazol-3-one has a molecular weight of 205.26 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-2-ethyl-1H-indazol-3-one is sourced from PubChem (CID 105457706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).