3,4-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;ethane

C12H25N3 — CID 166143646

IUPAC3,4-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;ethane
SMILESCC.CC.Cc1[nH]nc2c1C(C)CCN2
InChIInChI=1S/C8H13N3.2C2H6/c1-5-3-4-9-8-7(5)6(2)10-11-8;2*1-2/h5H,3-4H2,1-2H3,(H2,9,10,11);2*1-2H3
InChIKeyZBOPLOCHHAXUJZ-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.69
Rot. Bonds

About 3,4-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;ethane

3,4-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;ethane (PubChem CID 166143646) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 3,4-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;ethane.

Molecular Properties

Compound Name3,4-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;ethane
PubChem CID166143646
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name3,4-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;ethane
SMILESCC.CC.Cc1[nH]nc2c1C(C)CCN2
InChIInChI=1S/C8H13N3.2C2H6/c1-5-3-4-9-8-7(5)6(2)10-11-8;2*1-2/h5H,3-4H2,1-2H3,(H2,9,10,11);2*1-2H3
InChIKeyZBOPLOCHHAXUJZ-UHFFFAOYSA-N
XLogP3.69
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;ethane?
The IUPAC name of 3,4-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;ethane (CID 166143646) is 3,4-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;ethane.
What is the SMILES notation for 3,4-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;ethane?
The canonical SMILES for 3,4-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;ethane is CC.CC.Cc1[nH]nc2c1C(C)CCN2.
What is the InChIKey of 3,4-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;ethane?
The InChIKey is ZBOPLOCHHAXUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.2C2H6/c1-5-3-4-9-8-7(5)6(2)10-11-8;2*1-2/h5H,3-4H2,1-2H3,(H2,9,10,11);2*1-2H3.
What are the key properties of 3,4-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;ethane?
3,4-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;ethane has a molecular weight of 211.35 g/mol, XLogP of 3.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;ethane is sourced from PubChem (CID 166143646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).