6-(2-aminoethyl)-1,2-dimethylindazol-3-one

C11H15N3O — CID 105457715

IUPAC6-(2-aminoethyl)-1,2-dimethylindazol-3-one
SMILESCn1c(=O)c2ccc(CCN)cc2n1C
InChIInChI=1S/C11H15N3O/c1-13-10-7-8(5-6-12)3-4-9(10)11(15)14(13)2/h3-4,7H,5-6,12H2,1-2H3
InChIKeyBVPQFJHLASYANK-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.38
Rot. Bonds2

About 6-(2-aminoethyl)-1,2-dimethylindazol-3-one

6-(2-aminoethyl)-1,2-dimethylindazol-3-one (PubChem CID 105457715) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-(2-aminoethyl)-1,2-dimethylindazol-3-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-1,2-dimethylindazol-3-one
PubChem CID105457715
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name6-(2-aminoethyl)-1,2-dimethylindazol-3-one
SMILESCn1c(=O)c2ccc(CCN)cc2n1C
InChIInChI=1S/C11H15N3O/c1-13-10-7-8(5-6-12)3-4-9(10)11(15)14(13)2/h3-4,7H,5-6,12H2,1-2H3
InChIKeyBVPQFJHLASYANK-UHFFFAOYSA-N
XLogP0.38
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,3-trimethylindol-6-yl)ethanamine
CID 82397040
2-[1-methyl-3-(2-methylpropyl)indazol-6-yl]ethanamine
CID 105490219
5-(2-aminoethyl)-3-propyl-1,3-benzoxazol-2-one
CID 28916712
2-[1-(2-propylsulfonylethyl)indol-6-yl]ethanamine
CID 106720970
2-[6-(2-aminoethyl)naphthalen-2-yl]ethanamine
CID 20633654
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
2-[3-[[5-(2-aminoethyl)-2-ethylphenyl]diazenyl]-4-ethylphenyl]ethanamine
CID 164763757
2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine
CID 55266705
2-(3-tert-butyl-2-methylindazol-6-yl)ethanamine
CID 105490205
2-(1,2-dimethylbenzimidazol-5-yl)ethanamine
CID 82255152
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-1,2-dimethylindazol-3-one?
The IUPAC name of 6-(2-aminoethyl)-1,2-dimethylindazol-3-one (CID 105457715) is 6-(2-aminoethyl)-1,2-dimethylindazol-3-one.
What is the SMILES notation for 6-(2-aminoethyl)-1,2-dimethylindazol-3-one?
The canonical SMILES for 6-(2-aminoethyl)-1,2-dimethylindazol-3-one is Cn1c(=O)c2ccc(CCN)cc2n1C.
What is the InChIKey of 6-(2-aminoethyl)-1,2-dimethylindazol-3-one?
The InChIKey is BVPQFJHLASYANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-13-10-7-8(5-6-12)3-4-9(10)11(15)14(13)2/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of 6-(2-aminoethyl)-1,2-dimethylindazol-3-one?
6-(2-aminoethyl)-1,2-dimethylindazol-3-one has a molecular weight of 205.26 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-1,2-dimethylindazol-3-one is sourced from PubChem (CID 105457715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).