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

C12H19N3 — CID 159272959

IUPAC5-tert-butyl-3H-pyrazolo[3,4-b]pyridine;ethane
SMILESCC.CC(C)(C)c1cnc2c(c1)CN=N2
InChIInChI=1S/C10H13N3.C2H6/c1-10(2,3)8-4-7-5-12-13-9(7)11-6-8;1-2/h4,6H,5H2,1-3H3;1-2H3
InChIKeyKXYCNQPFZFTZHY-UHFFFAOYSA-N
MW205.30 g/mol
LogP4.00
Rot. Bonds

About 5-tert-butyl-3H-pyrazolo[3,4-b]pyridine;ethane

5-tert-butyl-3H-pyrazolo[3,4-b]pyridine;ethane (PubChem CID 159272959) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-tert-butyl-3H-pyrazolo[3,4-b]pyridine;ethane.

Molecular Properties

Compound Name5-tert-butyl-3H-pyrazolo[3,4-b]pyridine;ethane
PubChem CID159272959
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name5-tert-butyl-3H-pyrazolo[3,4-b]pyridine;ethane
SMILESCC.CC(C)(C)c1cnc2c(c1)CN=N2
InChIInChI=1S/C10H13N3.C2H6/c1-10(2,3)8-4-7-5-12-13-9(7)11-6-8;1-2/h4,6H,5H2,1-3H3;1-2H3
InChIKeyKXYCNQPFZFTZHY-UHFFFAOYSA-N
XLogP4.00
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3H-pyrazolo[3,4-b]pyridine;ethane?
The IUPAC name of 5-tert-butyl-3H-pyrazolo[3,4-b]pyridine;ethane (CID 159272959) is 5-tert-butyl-3H-pyrazolo[3,4-b]pyridine;ethane.
What is the SMILES notation for 5-tert-butyl-3H-pyrazolo[3,4-b]pyridine;ethane?
The canonical SMILES for 5-tert-butyl-3H-pyrazolo[3,4-b]pyridine;ethane is CC.CC(C)(C)c1cnc2c(c1)CN=N2.
What is the InChIKey of 5-tert-butyl-3H-pyrazolo[3,4-b]pyridine;ethane?
The InChIKey is KXYCNQPFZFTZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.C2H6/c1-10(2,3)8-4-7-5-12-13-9(7)11-6-8;1-2/h4,6H,5H2,1-3H3;1-2H3.
What are the key properties of 5-tert-butyl-3H-pyrazolo[3,4-b]pyridine;ethane?
5-tert-butyl-3H-pyrazolo[3,4-b]pyridine;ethane has a molecular weight of 205.30 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3H-pyrazolo[3,4-b]pyridine;ethane is sourced from PubChem (CID 159272959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).