ethane;1,3,6-trimethylpyrazolo[5,4-b]pyridine

C13H23N3 — CID 177008769

IUPACethane;1,3,6-trimethylpyrazolo[5,4-b]pyridine
SMILESCC.CC.Cc1ccc2c(C)nn(C)c2n1
InChIInChI=1S/C9H11N3.2C2H6/c1-6-4-5-8-7(2)11-12(3)9(8)10-6;2*1-2/h4-5H,1-3H3;2*1-2H3
InChIKeyPQPNCECUTUNSRQ-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.64
Rot. Bonds

About ethane;1,3,6-trimethylpyrazolo[5,4-b]pyridine

ethane;1,3,6-trimethylpyrazolo[5,4-b]pyridine (PubChem CID 177008769) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is ethane;1,3,6-trimethylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Nameethane;1,3,6-trimethylpyrazolo[5,4-b]pyridine
PubChem CID177008769
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Nameethane;1,3,6-trimethylpyrazolo[5,4-b]pyridine
SMILESCC.CC.Cc1ccc2c(C)nn(C)c2n1
InChIInChI=1S/C9H11N3.2C2H6/c1-6-4-5-8-7(2)11-12(3)9(8)10-6;2*1-2/h4-5H,1-3H3;2*1-2H3
InChIKeyPQPNCECUTUNSRQ-UHFFFAOYSA-N
XLogP3.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3,6-dimethylpyrazolo[5,4-b]pyridine
CID 90122617
(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)hydrazine
CID 55282105
N'-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 91486543
1,3,6-trimethylpyrazolo[3,4-d]pyrimidine
CID 58861824
ethane;1-[(2-fluorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine
CID 142348087
N-(1,6-dimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide
CID 82018263
1,2,3,6-tetramethylpyrrolo[2,3-b]pyridine
CID 143933718
(1,3,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine
CID 82504722
1,3,4,6-tetramethylpyrazolo[5,4-b]pyridine
CID 2264673
2-(3,5-dimethylpyrazol-1-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 75441860
(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-methylidene-λ3-iodane
CID 148787095
6-bromo-1,3-dimethylindazole;ethane
CID 145062136

Frequently Asked Questions

What is the IUPAC name of ethane;1,3,6-trimethylpyrazolo[5,4-b]pyridine?
The IUPAC name of ethane;1,3,6-trimethylpyrazolo[5,4-b]pyridine (CID 177008769) is ethane;1,3,6-trimethylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for ethane;1,3,6-trimethylpyrazolo[5,4-b]pyridine?
The canonical SMILES for ethane;1,3,6-trimethylpyrazolo[5,4-b]pyridine is CC.CC.Cc1ccc2c(C)nn(C)c2n1.
What is the InChIKey of ethane;1,3,6-trimethylpyrazolo[5,4-b]pyridine?
The InChIKey is PQPNCECUTUNSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.2C2H6/c1-6-4-5-8-7(2)11-12(3)9(8)10-6;2*1-2/h4-5H,1-3H3;2*1-2H3.
What are the key properties of ethane;1,3,6-trimethylpyrazolo[5,4-b]pyridine?
ethane;1,3,6-trimethylpyrazolo[5,4-b]pyridine has a molecular weight of 221.35 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,6-trimethylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 177008769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).