3-ethyl-1-methylindazol-5-amine

C10H13N3 — CID 68609782

IUPAC3-ethyl-1-methylindazol-5-amine
SMILESCCc1nn(C)c2ccc(N)cc12
InChIInChI=1S/C10H13N3/c1-3-9-8-6-7(11)4-5-10(8)13(2)12-9/h4-6H,3,11H2,1-2H3
InChIKeyLWJWUWFOJDCGTO-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.72
Rot. Bonds1

About 3-ethyl-1-methylindazol-5-amine

3-ethyl-1-methylindazol-5-amine (PubChem CID 68609782) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-ethyl-1-methylindazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methylindazol-5-amine
PubChem CID68609782
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name3-ethyl-1-methylindazol-5-amine
SMILESCCc1nn(C)c2ccc(N)cc12
InChIInChI=1S/C10H13N3/c1-3-9-8-6-7(11)4-5-10(8)13(2)12-9/h4-6H,3,11H2,1-2H3
InChIKeyLWJWUWFOJDCGTO-UHFFFAOYSA-N
XLogP1.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylindazol-5-amine?
The IUPAC name of 3-ethyl-1-methylindazol-5-amine (CID 68609782) is 3-ethyl-1-methylindazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methylindazol-5-amine?
The canonical SMILES for 3-ethyl-1-methylindazol-5-amine is CCc1nn(C)c2ccc(N)cc12.
What is the InChIKey of 3-ethyl-1-methylindazol-5-amine?
The InChIKey is LWJWUWFOJDCGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-3-9-8-6-7(11)4-5-10(8)13(2)12-9/h4-6H,3,11H2,1-2H3.
What are the key properties of 3-ethyl-1-methylindazol-5-amine?
3-ethyl-1-methylindazol-5-amine has a molecular weight of 175.23 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylindazol-5-amine is sourced from PubChem (CID 68609782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).