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

C17H25N5S — CID 71740499

IUPAC5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCCN1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1
InChIInChI=1S/C17H25N5S/c1-2-20-7-3-16(4-8-20)22-13-15(18-19-22)12-21-9-5-17-14(11-21)6-10-23-17/h6,10,13,16H,2-5,7-9,11-12H2,1H3
InChIKeyCFEDETDHVUJCQC-UHFFFAOYSA-N
MW331.49 g/mol
LogP2.55
Rot. Bonds4

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

5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 71740499) has the molecular formula C17H25N5S and a molecular weight of 331.49 g/mol. Its IUPAC name is 5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID71740499
Molecular FormulaC17H25N5S
Molecular Weight331.49 g/mol
Exact Mass331.18
IUPAC Name5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCCN1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1
InChIInChI=1S/C17H25N5S/c1-2-20-7-3-16(4-8-20)22-13-15(18-19-22)12-21-9-5-17-14(11-21)6-10-23-17/h6,10,13,16H,2-5,7-9,11-12H2,1H3
InChIKeyCFEDETDHVUJCQC-UHFFFAOYSA-N
XLogP2.55
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 71740499) is 5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is CCN1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1.
What is the InChIKey of 5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is CFEDETDHVUJCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5S/c1-2-20-7-3-16(4-8-20)22-13-15(18-19-22)12-21-9-5-17-14(11-21)6-10-23-17/h6,10,13,16H,2-5,7-9,11-12H2,1H3.
What are the key properties of 5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 331.49 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 71740499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).