2,3-dimethylindazol-5-amine;ethane;methyl acetate

C14H23N3O2 — CID 176567310

IUPAC2,3-dimethylindazol-5-amine;ethane;methyl acetate
SMILESCC.COC(C)=O.Cc1c2cc(N)ccc2nn1C
InChIInChI=1S/C9H11N3.C3H6O2.C2H6/c1-6-8-5-7(10)3-4-9(8)11-12(6)2;1-3(4)5-2;1-2/h3-5H,10H2,1-2H3;1-2H3;1-2H3
InChIKeySNSRICSDBSDXPQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.67
Rot. Bonds

About 2,3-dimethylindazol-5-amine;ethane;methyl acetate

2,3-dimethylindazol-5-amine;ethane;methyl acetate (PubChem CID 176567310) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2,3-dimethylindazol-5-amine;ethane;methyl acetate.

Molecular Properties

Compound Name2,3-dimethylindazol-5-amine;ethane;methyl acetate
PubChem CID176567310
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2,3-dimethylindazol-5-amine;ethane;methyl acetate
SMILESCC.COC(C)=O.Cc1c2cc(N)ccc2nn1C
InChIInChI=1S/C9H11N3.C3H6O2.C2H6/c1-6-8-5-7(10)3-4-9(8)11-12(6)2;1-3(4)5-2;1-2/h3-5H,10H2,1-2H3;1-2H3;1-2H3
InChIKeySNSRICSDBSDXPQ-UHFFFAOYSA-N
XLogP2.67
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylindazol-5-amine;ethane;methyl acetate?
The IUPAC name of 2,3-dimethylindazol-5-amine;ethane;methyl acetate (CID 176567310) is 2,3-dimethylindazol-5-amine;ethane;methyl acetate.
What is the SMILES notation for 2,3-dimethylindazol-5-amine;ethane;methyl acetate?
The canonical SMILES for 2,3-dimethylindazol-5-amine;ethane;methyl acetate is CC.COC(C)=O.Cc1c2cc(N)ccc2nn1C.
What is the InChIKey of 2,3-dimethylindazol-5-amine;ethane;methyl acetate?
The InChIKey is SNSRICSDBSDXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.C3H6O2.C2H6/c1-6-8-5-7(10)3-4-9(8)11-12(6)2;1-3(4)5-2;1-2/h3-5H,10H2,1-2H3;1-2H3;1-2H3.
What are the key properties of 2,3-dimethylindazol-5-amine;ethane;methyl acetate?
2,3-dimethylindazol-5-amine;ethane;methyl acetate has a molecular weight of 265.36 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylindazol-5-amine;ethane;methyl acetate is sourced from PubChem (CID 176567310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).