6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine

C13H8N4S — CID 1233931

IUPAC6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESc1csc(-c2nn3cnnc3c3ccccc23)c1
InChIInChI=1S/C13H8N4S/c1-2-5-10-9(4-1)12(11-6-3-7-18-11)16-17-8-14-15-13(10)17/h1-8H
InChIKeyYPDOEWYFORUOCO-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.01
Rot. Bonds1

About 6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine

6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 1233931) has the molecular formula C13H8N4S and a molecular weight of 252.30 g/mol. Its IUPAC name is 6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID1233931
Molecular FormulaC13H8N4S
Molecular Weight252.30 g/mol
Exact Mass252.05
IUPAC Name6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESc1csc(-c2nn3cnnc3c3ccccc23)c1
InChIInChI=1S/C13H8N4S/c1-2-5-10-9(4-1)12(11-6-3-7-18-11)16-17-8-14-15-13(10)17/h1-8H
InChIKeyYPDOEWYFORUOCO-UHFFFAOYSA-N
XLogP3.01
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine (CID 1233931) is 6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine is c1csc(-c2nn3cnnc3c3ccccc23)c1.
What is the InChIKey of 6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is YPDOEWYFORUOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4S/c1-2-5-10-9(4-1)12(11-6-3-7-18-11)16-17-8-14-15-13(10)17/h1-8H.
What are the key properties of 6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine?
6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 252.30 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 1233931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).