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

C14H10N4S — CID 706123

IUPAC3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nnc2c3ccccc3c(-c3cccs3)nn12
InChIInChI=1S/C14H10N4S/c1-9-15-16-14-11-6-3-2-5-10(11)13(17-18(9)14)12-7-4-8-19-12/h2-8H,1H3
InChIKeyJYZPNMBQMRVYQS-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.31
Rot. Bonds1

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

3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 706123) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID706123
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Name3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nnc2c3ccccc3c(-c3cccs3)nn12
InChIInChI=1S/C14H10N4S/c1-9-15-16-14-11-6-3-2-5-10(11)13(17-18(9)14)12-7-4-8-19-12/h2-8H,1H3
InChIKeyJYZPNMBQMRVYQS-UHFFFAOYSA-N
XLogP3.31
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine (CID 706123) is 3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine is Cc1nnc2c3ccccc3c(-c3cccs3)nn12.
What is the InChIKey of 3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is JYZPNMBQMRVYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c1-9-15-16-14-11-6-3-2-5-10(11)13(17-18(9)14)12-7-4-8-19-12/h2-8H,1H3.
What are the key properties of 3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine?
3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 266.33 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 706123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).