5-amino-2,7-dimethylindazol-6-ol;2,5-dimethylindazol-7-amine;ethane

C22H34N6O — CID 176566536

IUPAC5-amino-2,7-dimethylindazol-6-ol;2,5-dimethylindazol-7-amine;ethane
SMILESCC.CC.Cc1c(O)c(N)cc2cn(C)nc12.Cc1cc(N)c2nn(C)cc2c1
InChIInChI=1S/C9H11N3O.C9H11N3.2C2H6/c1-5-8-6(4-12(2)11-8)3-7(10)9(5)13;1-6-3-7-5-12(2)11-9(7)8(10)4-6;2*1-2/h3-4,13H,10H2,1-2H3;3-5H,10H2,1-2H3;2*1-2H3
InChIKeyTXEAMRCCGWMLMN-UHFFFAOYSA-N
MW398.56 g/mol
LogP4.69
Rot. Bonds

About 5-amino-2,7-dimethylindazol-6-ol;2,5-dimethylindazol-7-amine;ethane

5-amino-2,7-dimethylindazol-6-ol;2,5-dimethylindazol-7-amine;ethane (PubChem CID 176566536) has the molecular formula C22H34N6O and a molecular weight of 398.56 g/mol. Its IUPAC name is 5-amino-2,7-dimethylindazol-6-ol;2,5-dimethylindazol-7-amine;ethane.

Molecular Properties

Compound Name5-amino-2,7-dimethylindazol-6-ol;2,5-dimethylindazol-7-amine;ethane
PubChem CID176566536
Molecular FormulaC22H34N6O
Molecular Weight398.56 g/mol
Exact Mass398.28
IUPAC Name5-amino-2,7-dimethylindazol-6-ol;2,5-dimethylindazol-7-amine;ethane
SMILESCC.CC.Cc1c(O)c(N)cc2cn(C)nc12.Cc1cc(N)c2nn(C)cc2c1
InChIInChI=1S/C9H11N3O.C9H11N3.2C2H6/c1-5-8-6(4-12(2)11-8)3-7(10)9(5)13;1-6-3-7-5-12(2)11-9(7)8(10)4-6;2*1-2/h3-4,13H,10H2,1-2H3;3-5H,10H2,1-2H3;2*1-2H3
InChIKeyTXEAMRCCGWMLMN-UHFFFAOYSA-N
XLogP4.69
TPSA107.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.56
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethane;2,5,7-trimethylindazol-6-ol
CID 162433004
ethane;2,5,7-trimethylindazole
CID 156845071
7-fluoro-2,6-dimethylindazol-5-amine;hydrochloride
CID 168914385
ethane;N,2,5-trimethylindazol-7-amine
CID 176566989
ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole
CID 156888629
7-bromo-6-fluoro-2-methylindazol-5-amine
CID 171792771
ethane;2,6,7-trimethylindazole
CID 156845180
2,5-dimethylindazole
CID 58763639
ethane;6-methoxy-2-methylindazol-7-ol
CID 155591258
5-ethyl-7-fluoro-2-methylindazol-6-ol
CID 168902393
5-chloro-2,7-dimethylpyrazolo[3,4-c]pyridine
CID 162432890
2,7-dimethylindazole-6-carboxylic acid
CID 117110179

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,7-dimethylindazol-6-ol;2,5-dimethylindazol-7-amine;ethane?
The IUPAC name of 5-amino-2,7-dimethylindazol-6-ol;2,5-dimethylindazol-7-amine;ethane (CID 176566536) is 5-amino-2,7-dimethylindazol-6-ol;2,5-dimethylindazol-7-amine;ethane.
What is the SMILES notation for 5-amino-2,7-dimethylindazol-6-ol;2,5-dimethylindazol-7-amine;ethane?
The canonical SMILES for 5-amino-2,7-dimethylindazol-6-ol;2,5-dimethylindazol-7-amine;ethane is CC.CC.Cc1c(O)c(N)cc2cn(C)nc12.Cc1cc(N)c2nn(C)cc2c1.
What is the InChIKey of 5-amino-2,7-dimethylindazol-6-ol;2,5-dimethylindazol-7-amine;ethane?
The InChIKey is TXEAMRCCGWMLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O.C9H11N3.2C2H6/c1-5-8-6(4-12(2)11-8)3-7(10)9(5)13;1-6-3-7-5-12(2)11-9(7)8(10)4-6;2*1-2/h3-4,13H,10H2,1-2H3;3-5H,10H2,1-2H3;2*1-2H3.
What are the key properties of 5-amino-2,7-dimethylindazol-6-ol;2,5-dimethylindazol-7-amine;ethane?
5-amino-2,7-dimethylindazol-6-ol;2,5-dimethylindazol-7-amine;ethane has a molecular weight of 398.56 g/mol, XLogP of 4.69, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,7-dimethylindazol-6-ol;2,5-dimethylindazol-7-amine;ethane is sourced from PubChem (CID 176566536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).