1-(4-chloro-1-methylindazol-3-yl)ethanamine

C10H12ClN3 — CID 112716436

IUPAC1-(4-chloro-1-methylindazol-3-yl)ethanamine
SMILESCC(N)c1nn(C)c2cccc(Cl)c12
InChIInChI=1S/C10H12ClN3/c1-6(12)10-9-7(11)4-3-5-8(9)14(2)13-10/h3-6H,12H2,1-2H3
InChIKeyAHOHPDBGZGGVKC-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.25
Rot. Bonds1

About 1-(4-chloro-1-methylindazol-3-yl)ethanamine

1-(4-chloro-1-methylindazol-3-yl)ethanamine (PubChem CID 112716436) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-(4-chloro-1-methylindazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-methylindazol-3-yl)ethanamine
PubChem CID112716436
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name1-(4-chloro-1-methylindazol-3-yl)ethanamine
SMILESCC(N)c1nn(C)c2cccc(Cl)c12
InChIInChI=1S/C10H12ClN3/c1-6(12)10-9-7(11)4-3-5-8(9)14(2)13-10/h3-6H,12H2,1-2H3
InChIKeyAHOHPDBGZGGVKC-UHFFFAOYSA-N
XLogP2.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylindazol-3-yl)ethanamine?
The IUPAC name of 1-(4-chloro-1-methylindazol-3-yl)ethanamine (CID 112716436) is 1-(4-chloro-1-methylindazol-3-yl)ethanamine.
What is the SMILES notation for 1-(4-chloro-1-methylindazol-3-yl)ethanamine?
The canonical SMILES for 1-(4-chloro-1-methylindazol-3-yl)ethanamine is CC(N)c1nn(C)c2cccc(Cl)c12.
What is the InChIKey of 1-(4-chloro-1-methylindazol-3-yl)ethanamine?
The InChIKey is AHOHPDBGZGGVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-6(12)10-9-7(11)4-3-5-8(9)14(2)13-10/h3-6H,12H2,1-2H3.
What are the key properties of 1-(4-chloro-1-methylindazol-3-yl)ethanamine?
1-(4-chloro-1-methylindazol-3-yl)ethanamine has a molecular weight of 209.68 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylindazol-3-yl)ethanamine is sourced from PubChem (CID 112716436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).