3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;ethane

C12H19N3 — CID 161040738

IUPAC3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;ethane
SMILESCC.CC(C)(C)c1[nH]nc2ncccc12
InChIInChI=1S/C10H13N3.C2H6/c1-10(2,3)8-7-5-4-6-11-9(7)13-12-8;1-2/h4-6H,1-3H3,(H,11,12,13);1-2H3
InChIKeyUAVRHCJAKMSZJT-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.28
Rot. Bonds

About 3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;ethane

3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;ethane (PubChem CID 161040738) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;ethane.

Molecular Properties

Compound Name3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;ethane
PubChem CID161040738
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;ethane
SMILESCC.CC(C)(C)c1[nH]nc2ncccc12
InChIInChI=1S/C10H13N3.C2H6/c1-10(2,3)8-7-5-4-6-11-9(7)13-12-8;1-2/h4-6H,1-3H3,(H,11,12,13);1-2H3
InChIKeyUAVRHCJAKMSZJT-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;ethane?
The IUPAC name of 3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;ethane (CID 161040738) is 3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;ethane.
What is the SMILES notation for 3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;ethane?
The canonical SMILES for 3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;ethane is CC.CC(C)(C)c1[nH]nc2ncccc12.
What is the InChIKey of 3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;ethane?
The InChIKey is UAVRHCJAKMSZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.C2H6/c1-10(2,3)8-7-5-4-6-11-9(7)13-12-8;1-2/h4-6H,1-3H3,(H,11,12,13);1-2H3.
What are the key properties of 3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;ethane?
3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;ethane has a molecular weight of 205.30 g/mol, XLogP of 3.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;ethane is sourced from PubChem (CID 161040738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).