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

C15H21N5S — CID 71740371

IUPAC5-[(1-piperidin-4-yltriazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESc1cc2c(s1)CCN(Cc1cn(C3CCNCC3)nn1)C2
InChIInChI=1S/C15H21N5S/c1-5-16-6-2-14(1)20-11-13(17-18-20)10-19-7-3-15-12(9-19)4-8-21-15/h4,8,11,14,16H,1-3,5-7,9-10H2
InChIKeyVAFAQMQSPUPWAU-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.82
Rot. Bonds3

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

5-[(1-piperidin-4-yltriazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 71740371) has the molecular formula C15H21N5S and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-[(1-piperidin-4-yltriazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[(1-piperidin-4-yltriazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID71740371
Molecular FormulaC15H21N5S
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC Name5-[(1-piperidin-4-yltriazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESc1cc2c(s1)CCN(Cc1cn(C3CCNCC3)nn1)C2
InChIInChI=1S/C15H21N5S/c1-5-16-6-2-14(1)20-11-13(17-18-20)10-19-7-3-15-12(9-19)4-8-21-15/h4,8,11,14,16H,1-3,5-7,9-10H2
InChIKeyVAFAQMQSPUPWAU-UHFFFAOYSA-N
XLogP1.82
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-piperidin-4-yltriazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[(1-piperidin-4-yltriazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 71740371) is 5-[(1-piperidin-4-yltriazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[(1-piperidin-4-yltriazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[(1-piperidin-4-yltriazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is c1cc2c(s1)CCN(Cc1cn(C3CCNCC3)nn1)C2.
What is the InChIKey of 5-[(1-piperidin-4-yltriazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is VAFAQMQSPUPWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-5-16-6-2-14(1)20-11-13(17-18-20)10-19-7-3-15-12(9-19)4-8-21-15/h4,8,11,14,16H,1-3,5-7,9-10H2.
What are the key properties of 5-[(1-piperidin-4-yltriazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[(1-piperidin-4-yltriazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 303.43 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-piperidin-4-yltriazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 71740371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).