2-[3-(oxan-2-yl)-2H-indazol-5-yl]ethanamine

C14H19N3O — CID 68737386

IUPAC2-[3-(oxan-2-yl)-2H-indazol-5-yl]ethanamine
SMILESNCCc1ccc2n[nH]c(C3CCCCO3)c2c1
InChIInChI=1S/C14H19N3O/c15-7-6-10-4-5-12-11(9-10)14(17-16-12)13-3-1-2-8-18-13/h4-5,9,13H,1-3,6-8,15H2,(H,16,17)
InChIKeyGAKITEQDGOOKQF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.31
Rot. Bonds3

About 2-[3-(oxan-2-yl)-2H-indazol-5-yl]ethanamine

2-[3-(oxan-2-yl)-2H-indazol-5-yl]ethanamine (PubChem CID 68737386) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[3-(oxan-2-yl)-2H-indazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(oxan-2-yl)-2H-indazol-5-yl]ethanamine
PubChem CID68737386
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[3-(oxan-2-yl)-2H-indazol-5-yl]ethanamine
SMILESNCCc1ccc2n[nH]c(C3CCCCO3)c2c1
InChIInChI=1S/C14H19N3O/c15-7-6-10-4-5-12-11(9-10)14(17-16-12)13-3-1-2-8-18-13/h4-5,9,13H,1-3,6-8,15H2,(H,16,17)
InChIKeyGAKITEQDGOOKQF-UHFFFAOYSA-N
XLogP2.31
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxan-2-yl)-2H-indazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(oxan-2-yl)-2H-indazol-5-yl]ethanamine (CID 68737386) is 2-[3-(oxan-2-yl)-2H-indazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(oxan-2-yl)-2H-indazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(oxan-2-yl)-2H-indazol-5-yl]ethanamine is NCCc1ccc2n[nH]c(C3CCCCO3)c2c1.
What is the InChIKey of 2-[3-(oxan-2-yl)-2H-indazol-5-yl]ethanamine?
The InChIKey is GAKITEQDGOOKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-7-6-10-4-5-12-11(9-10)14(17-16-12)13-3-1-2-8-18-13/h4-5,9,13H,1-3,6-8,15H2,(H,16,17).
What are the key properties of 2-[3-(oxan-2-yl)-2H-indazol-5-yl]ethanamine?
2-[3-(oxan-2-yl)-2H-indazol-5-yl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxan-2-yl)-2H-indazol-5-yl]ethanamine is sourced from PubChem (CID 68737386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).