2-(thian-4-yl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine

C11H17N3S — CID 142533294

IUPAC2-(thian-4-yl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESc1c2c(nn1C1CCSCC1)CNCC2
InChIInChI=1S/C11H17N3S/c1-4-12-7-11-9(1)8-14(13-11)10-2-5-15-6-3-10/h8,10,12H,1-7H2
InChIKeyBYWVUVATCYSQHV-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.60
Rot. Bonds1

About 2-(thian-4-yl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine

2-(thian-4-yl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (PubChem CID 142533294) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(thian-4-yl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name2-(thian-4-yl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
PubChem CID142533294
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name2-(thian-4-yl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESc1c2c(nn1C1CCSCC1)CNCC2
InChIInChI=1S/C11H17N3S/c1-4-12-7-11-9(1)8-14(13-11)10-2-5-15-6-3-10/h8,10,12H,1-7H2
InChIKeyBYWVUVATCYSQHV-UHFFFAOYSA-N
XLogP1.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(thian-4-yl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The IUPAC name of 2-(thian-4-yl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (CID 142533294) is 2-(thian-4-yl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.
What is the SMILES notation for 2-(thian-4-yl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The canonical SMILES for 2-(thian-4-yl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is c1c2c(nn1C1CCSCC1)CNCC2.
What is the InChIKey of 2-(thian-4-yl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The InChIKey is BYWVUVATCYSQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-4-12-7-11-9(1)8-14(13-11)10-2-5-15-6-3-10/h8,10,12H,1-7H2.
What are the key properties of 2-(thian-4-yl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
2-(thian-4-yl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine has a molecular weight of 223.34 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-4-yl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is sourced from PubChem (CID 142533294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).