5-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C16H23N5S — CID 71740498

IUPAC5-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCN1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1
InChIInChI=1S/C16H23N5S/c1-19-6-2-15(3-7-19)21-12-14(17-18-21)11-20-8-4-16-13(10-20)5-9-22-16/h5,9,12,15H,2-4,6-8,10-11H2,1H3
InChIKeyZKRCBIAUJWYKBL-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.16
Rot. Bonds3

About 5-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 71740498) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is 5-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID71740498
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC Name5-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCN1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1
InChIInChI=1S/C16H23N5S/c1-19-6-2-15(3-7-19)21-12-14(17-18-21)11-20-8-4-16-13(10-20)5-9-22-16/h5,9,12,15H,2-4,6-8,10-11H2,1H3
InChIKeyZKRCBIAUJWYKBL-UHFFFAOYSA-N
XLogP2.16
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 71740498) is 5-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is CN1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1.
What is the InChIKey of 5-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is ZKRCBIAUJWYKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5S/c1-19-6-2-15(3-7-19)21-12-14(17-18-21)11-20-8-4-16-13(10-20)5-9-22-16/h5,9,12,15H,2-4,6-8,10-11H2,1H3.
What are the key properties of 5-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 317.46 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 71740498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).