5-ethoxy-1H-indazol-3-amine

C9H11N3O — CID 21409200

IUPAC5-ethoxy-1H-indazol-3-amine
SMILESCCOc1ccc2[nH]nc(N)c2c1
InChIInChI=1S/C9H11N3O/c1-2-13-6-3-4-8-7(5-6)9(10)12-11-8/h3-5H,2H2,1H3,(H3,10,11,12)
InChIKeyYHMZEHSVPWGDDU-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.54
Rot. Bonds2

About 5-ethoxy-1H-indazol-3-amine

5-ethoxy-1H-indazol-3-amine (PubChem CID 21409200) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 5-ethoxy-1H-indazol-3-amine.

Molecular Properties

Compound Name5-ethoxy-1H-indazol-3-amine
PubChem CID21409200
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name5-ethoxy-1H-indazol-3-amine
SMILESCCOc1ccc2[nH]nc(N)c2c1
InChIInChI=1S/C9H11N3O/c1-2-13-6-3-4-8-7(5-6)9(10)12-11-8/h3-5H,2H2,1H3,(H3,10,11,12)
InChIKeyYHMZEHSVPWGDDU-UHFFFAOYSA-N
XLogP1.54
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1H-indazol-3-amine?
The IUPAC name of 5-ethoxy-1H-indazol-3-amine (CID 21409200) is 5-ethoxy-1H-indazol-3-amine.
What is the SMILES notation for 5-ethoxy-1H-indazol-3-amine?
The canonical SMILES for 5-ethoxy-1H-indazol-3-amine is CCOc1ccc2[nH]nc(N)c2c1.
What is the InChIKey of 5-ethoxy-1H-indazol-3-amine?
The InChIKey is YHMZEHSVPWGDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-2-13-6-3-4-8-7(5-6)9(10)12-11-8/h3-5H,2H2,1H3,(H3,10,11,12).
What are the key properties of 5-ethoxy-1H-indazol-3-amine?
5-ethoxy-1H-indazol-3-amine has a molecular weight of 177.21 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1H-indazol-3-amine is sourced from PubChem (CID 21409200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).