2-(2-ethyl-3-methylindazol-4-yl)ethanamine

C12H17N3 — CID 84721665

IUPAC2-(2-ethyl-3-methylindazol-4-yl)ethanamine
SMILESCCn1nc2cccc(CCN)c2c1C
InChIInChI=1S/C12H17N3/c1-3-15-9(2)12-10(7-8-13)5-4-6-11(12)14-15/h4-6H,3,7-8,13H2,1-2H3
InChIKeyCCCDJGSHYZYHMP-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.87
Rot. Bonds3

About 2-(2-ethyl-3-methylindazol-4-yl)ethanamine

2-(2-ethyl-3-methylindazol-4-yl)ethanamine (PubChem CID 84721665) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(2-ethyl-3-methylindazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-ethyl-3-methylindazol-4-yl)ethanamine
PubChem CID84721665
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(2-ethyl-3-methylindazol-4-yl)ethanamine
SMILESCCn1nc2cccc(CCN)c2c1C
InChIInChI=1S/C12H17N3/c1-3-15-9(2)12-10(7-8-13)5-4-6-11(12)14-15/h4-6H,3,7-8,13H2,1-2H3
InChIKeyCCCDJGSHYZYHMP-UHFFFAOYSA-N
XLogP1.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-methylindazol-4-yl)ethanamine?
The IUPAC name of 2-(2-ethyl-3-methylindazol-4-yl)ethanamine (CID 84721665) is 2-(2-ethyl-3-methylindazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-ethyl-3-methylindazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-ethyl-3-methylindazol-4-yl)ethanamine is CCn1nc2cccc(CCN)c2c1C.
What is the InChIKey of 2-(2-ethyl-3-methylindazol-4-yl)ethanamine?
The InChIKey is CCCDJGSHYZYHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-15-9(2)12-10(7-8-13)5-4-6-11(12)14-15/h4-6H,3,7-8,13H2,1-2H3.
What are the key properties of 2-(2-ethyl-3-methylindazol-4-yl)ethanamine?
2-(2-ethyl-3-methylindazol-4-yl)ethanamine has a molecular weight of 203.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-methylindazol-4-yl)ethanamine is sourced from PubChem (CID 84721665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).