4-(1-aminoethyl)-2-methyl-1H-indazol-3-one

C10H13N3O — CID 105445090

IUPAC4-(1-aminoethyl)-2-methyl-1H-indazol-3-one
SMILESCC(N)c1cccc2[nH]n(C)c(=O)c12
InChIInChI=1S/C10H13N3O/c1-6(11)7-4-3-5-8-9(7)10(14)13(2)12-8/h3-6,12H,11H2,1-2H3
InChIKeyUWSODGMFHIIBLM-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.89
Rot. Bonds1

About 4-(1-aminoethyl)-2-methyl-1H-indazol-3-one

4-(1-aminoethyl)-2-methyl-1H-indazol-3-one (PubChem CID 105445090) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(1-aminoethyl)-2-methyl-1H-indazol-3-one.

Molecular Properties

Compound Name4-(1-aminoethyl)-2-methyl-1H-indazol-3-one
PubChem CID105445090
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-(1-aminoethyl)-2-methyl-1H-indazol-3-one
SMILESCC(N)c1cccc2[nH]n(C)c(=O)c12
InChIInChI=1S/C10H13N3O/c1-6(11)7-4-3-5-8-9(7)10(14)13(2)12-8/h3-6,12H,11H2,1-2H3
InChIKeyUWSODGMFHIIBLM-UHFFFAOYSA-N
XLogP0.89
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.89
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 4-(1-aminoethyl)-2-methyl-1H-indazol-3-one?
The IUPAC name of 4-(1-aminoethyl)-2-methyl-1H-indazol-3-one (CID 105445090) is 4-(1-aminoethyl)-2-methyl-1H-indazol-3-one.
What is the SMILES notation for 4-(1-aminoethyl)-2-methyl-1H-indazol-3-one?
The canonical SMILES for 4-(1-aminoethyl)-2-methyl-1H-indazol-3-one is CC(N)c1cccc2[nH]n(C)c(=O)c12.
What is the InChIKey of 4-(1-aminoethyl)-2-methyl-1H-indazol-3-one?
The InChIKey is UWSODGMFHIIBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-6(11)7-4-3-5-8-9(7)10(14)13(2)12-8/h3-6,12H,11H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-2-methyl-1H-indazol-3-one?
4-(1-aminoethyl)-2-methyl-1H-indazol-3-one has a molecular weight of 191.23 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-2-methyl-1H-indazol-3-one is sourced from PubChem (CID 105445090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).