6-ethyl-2H-pyrazolo[3,4-b]quinolin-3-amine

C12H12N4 — CID 1133280

IUPAC6-ethyl-2H-pyrazolo[3,4-b]quinolin-3-amine
SMILESCCc1ccc2nc3n[nH]c(N)c3cc2c1
InChIInChI=1S/C12H12N4/c1-2-7-3-4-10-8(5-7)6-9-11(13)15-16-12(9)14-10/h3-6H,2H2,1H3,(H3,13,14,15,16)
InChIKeyHYNZISBOSPUEJO-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.26
Rot. Bonds1

About 6-ethyl-2H-pyrazolo[3,4-b]quinolin-3-amine

6-ethyl-2H-pyrazolo[3,4-b]quinolin-3-amine (PubChem CID 1133280) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 6-ethyl-2H-pyrazolo[3,4-b]quinolin-3-amine.

Molecular Properties

Compound Name6-ethyl-2H-pyrazolo[3,4-b]quinolin-3-amine
PubChem CID1133280
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name6-ethyl-2H-pyrazolo[3,4-b]quinolin-3-amine
SMILESCCc1ccc2nc3n[nH]c(N)c3cc2c1
InChIInChI=1S/C12H12N4/c1-2-7-3-4-10-8(5-7)6-9-11(13)15-16-12(9)14-10/h3-6H,2H2,1H3,(H3,13,14,15,16)
InChIKeyHYNZISBOSPUEJO-UHFFFAOYSA-N
XLogP2.26
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2H-pyrazolo[3,4-b]quinolin-3-amine?
The IUPAC name of 6-ethyl-2H-pyrazolo[3,4-b]quinolin-3-amine (CID 1133280) is 6-ethyl-2H-pyrazolo[3,4-b]quinolin-3-amine.
What is the SMILES notation for 6-ethyl-2H-pyrazolo[3,4-b]quinolin-3-amine?
The canonical SMILES for 6-ethyl-2H-pyrazolo[3,4-b]quinolin-3-amine is CCc1ccc2nc3n[nH]c(N)c3cc2c1.
What is the InChIKey of 6-ethyl-2H-pyrazolo[3,4-b]quinolin-3-amine?
The InChIKey is HYNZISBOSPUEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-2-7-3-4-10-8(5-7)6-9-11(13)15-16-12(9)14-10/h3-6H,2H2,1H3,(H3,13,14,15,16).
What are the key properties of 6-ethyl-2H-pyrazolo[3,4-b]quinolin-3-amine?
6-ethyl-2H-pyrazolo[3,4-b]quinolin-3-amine has a molecular weight of 212.26 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2H-pyrazolo[3,4-b]quinolin-3-amine is sourced from PubChem (CID 1133280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).