5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylidene-4H-thieno[2,3-c]pyrrole

C17H15N5S — CID 139307706

IUPAC5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylidene-4H-thieno[2,3-c]pyrrole
SMILESC=C1c2sccc2CN1c1cccc(-c2nncn2C2CC2)n1
InChIInChI=1S/C17H15N5S/c1-11-16-12(7-8-23-16)9-21(11)15-4-2-3-14(19-15)17-20-18-10-22(17)13-5-6-13/h2-4,7-8,10,13H,1,5-6,9H2
InChIKeyWDEHXQNLFJSYFH-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.73
Rot. Bonds3

About 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylidene-4H-thieno[2,3-c]pyrrole

5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylidene-4H-thieno[2,3-c]pyrrole (PubChem CID 139307706) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylidene-4H-thieno[2,3-c]pyrrole.

Molecular Properties

Compound Name5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylidene-4H-thieno[2,3-c]pyrrole
PubChem CID139307706
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC Name5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylidene-4H-thieno[2,3-c]pyrrole
SMILESC=C1c2sccc2CN1c1cccc(-c2nncn2C2CC2)n1
InChIInChI=1S/C17H15N5S/c1-11-16-12(7-8-23-16)9-21(11)15-4-2-3-14(19-15)17-20-18-10-22(17)13-5-6-13/h2-4,7-8,10,13H,1,5-6,9H2
InChIKeyWDEHXQNLFJSYFH-UHFFFAOYSA-N
XLogP3.73
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylidene-4H-thieno[2,3-c]pyrrole?
The IUPAC name of 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylidene-4H-thieno[2,3-c]pyrrole (CID 139307706) is 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylidene-4H-thieno[2,3-c]pyrrole.
What is the SMILES notation for 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylidene-4H-thieno[2,3-c]pyrrole?
The canonical SMILES for 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylidene-4H-thieno[2,3-c]pyrrole is C=C1c2sccc2CN1c1cccc(-c2nncn2C2CC2)n1.
What is the InChIKey of 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylidene-4H-thieno[2,3-c]pyrrole?
The InChIKey is WDEHXQNLFJSYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c1-11-16-12(7-8-23-16)9-21(11)15-4-2-3-14(19-15)17-20-18-10-22(17)13-5-6-13/h2-4,7-8,10,13H,1,5-6,9H2.
What are the key properties of 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylidene-4H-thieno[2,3-c]pyrrole?
5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylidene-4H-thieno[2,3-c]pyrrole has a molecular weight of 321.41 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylidene-4H-thieno[2,3-c]pyrrole is sourced from PubChem (CID 139307706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).