1-(thian-4-yl)pyrazolo[3,4-b]pyridin-5-amine

C11H14N4S — CID 115040304

IUPAC1-(thian-4-yl)pyrazolo[3,4-b]pyridin-5-amine
SMILESNc1cnc2c(cnn2C2CCSCC2)c1
InChIInChI=1S/C11H14N4S/c12-9-5-8-6-14-15(11(8)13-7-9)10-1-3-16-4-2-10/h5-7,10H,1-4,12H2
InChIKeyDULXZAALKLWLNM-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.08
Rot. Bonds1

About 1-(thian-4-yl)pyrazolo[3,4-b]pyridin-5-amine

1-(thian-4-yl)pyrazolo[3,4-b]pyridin-5-amine (PubChem CID 115040304) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 1-(thian-4-yl)pyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound Name1-(thian-4-yl)pyrazolo[3,4-b]pyridin-5-amine
PubChem CID115040304
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name1-(thian-4-yl)pyrazolo[3,4-b]pyridin-5-amine
SMILESNc1cnc2c(cnn2C2CCSCC2)c1
InChIInChI=1S/C11H14N4S/c12-9-5-8-6-14-15(11(8)13-7-9)10-1-3-16-4-2-10/h5-7,10H,1-4,12H2
InChIKeyDULXZAALKLWLNM-UHFFFAOYSA-N
XLogP2.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(thian-4-yl)pyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of 1-(thian-4-yl)pyrazolo[3,4-b]pyridin-5-amine (CID 115040304) is 1-(thian-4-yl)pyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for 1-(thian-4-yl)pyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for 1-(thian-4-yl)pyrazolo[3,4-b]pyridin-5-amine is Nc1cnc2c(cnn2C2CCSCC2)c1.
What is the InChIKey of 1-(thian-4-yl)pyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is DULXZAALKLWLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c12-9-5-8-6-14-15(11(8)13-7-9)10-1-3-16-4-2-10/h5-7,10H,1-4,12H2.
What are the key properties of 1-(thian-4-yl)pyrazolo[3,4-b]pyridin-5-amine?
1-(thian-4-yl)pyrazolo[3,4-b]pyridin-5-amine has a molecular weight of 234.33 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-4-yl)pyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 115040304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).