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

C11H14N4S — CID 119103457

IUPAC5-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCn1cnnc1CN1CCc2sccc2C1
InChIInChI=1S/C11H14N4S/c1-14-8-12-13-11(14)7-15-4-2-10-9(6-15)3-5-16-10/h3,5,8H,2,4,6-7H2,1H3
InChIKeyCVQNHCYQZUXILC-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.43
Rot. Bonds2

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

5-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 119103457) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 5-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID119103457
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name5-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCn1cnnc1CN1CCc2sccc2C1
InChIInChI=1S/C11H14N4S/c1-14-8-12-13-11(14)7-15-4-2-10-9(6-15)3-5-16-10/h3,5,8H,2,4,6-7H2,1H3
InChIKeyCVQNHCYQZUXILC-UHFFFAOYSA-N
XLogP1.43
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 119103457) is 5-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is Cn1cnnc1CN1CCc2sccc2C1.
What is the InChIKey of 5-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is CVQNHCYQZUXILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-14-8-12-13-11(14)7-15-4-2-10-9(6-15)3-5-16-10/h3,5,8H,2,4,6-7H2,1H3.
What are the key properties of 5-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 234.33 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 119103457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).