3-pyridin-2-yl-5,6-dithiophen-2-yl-1,2,4-triazine

C16H10N4S2 — CID 19983587

IUPAC3-pyridin-2-yl-5,6-dithiophen-2-yl-1,2,4-triazine
SMILESc1ccc(-c2nnc(-c3cccs3)c(-c3cccs3)n2)nc1
InChIInChI=1S/C16H10N4S2/c1-2-8-17-11(5-1)16-18-14(12-6-3-9-21-12)15(19-20-16)13-7-4-10-22-13/h1-10H
InChIKeyRDXVVAYVWXXBPB-UHFFFAOYSA-N
MW322.42 g/mol
LogP4.39
Rot. Bonds3

About 3-pyridin-2-yl-5,6-dithiophen-2-yl-1,2,4-triazine

3-pyridin-2-yl-5,6-dithiophen-2-yl-1,2,4-triazine (PubChem CID 19983587) has the molecular formula C16H10N4S2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 3-pyridin-2-yl-5,6-dithiophen-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name3-pyridin-2-yl-5,6-dithiophen-2-yl-1,2,4-triazine
PubChem CID19983587
Molecular FormulaC16H10N4S2
Molecular Weight322.42 g/mol
Exact Mass322.03
IUPAC Name3-pyridin-2-yl-5,6-dithiophen-2-yl-1,2,4-triazine
SMILESc1ccc(-c2nnc(-c3cccs3)c(-c3cccs3)n2)nc1
InChIInChI=1S/C16H10N4S2/c1-2-8-17-11(5-1)16-18-14(12-6-3-9-21-12)15(19-20-16)13-7-4-10-22-13/h1-10H
InChIKeyRDXVVAYVWXXBPB-UHFFFAOYSA-N
XLogP4.39
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-pyridin-2-yl-5,6-dithiophen-2-yl-1,2,4-triazine 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-pyridin-2-yl-5,6-dithiophen-2-yl-1,2,4-triazine?
The IUPAC name of 3-pyridin-2-yl-5,6-dithiophen-2-yl-1,2,4-triazine (CID 19983587) is 3-pyridin-2-yl-5,6-dithiophen-2-yl-1,2,4-triazine.
What is the SMILES notation for 3-pyridin-2-yl-5,6-dithiophen-2-yl-1,2,4-triazine?
The canonical SMILES for 3-pyridin-2-yl-5,6-dithiophen-2-yl-1,2,4-triazine is c1ccc(-c2nnc(-c3cccs3)c(-c3cccs3)n2)nc1.
What is the InChIKey of 3-pyridin-2-yl-5,6-dithiophen-2-yl-1,2,4-triazine?
The InChIKey is RDXVVAYVWXXBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4S2/c1-2-8-17-11(5-1)16-18-14(12-6-3-9-21-12)15(19-20-16)13-7-4-10-22-13/h1-10H.
What are the key properties of 3-pyridin-2-yl-5,6-dithiophen-2-yl-1,2,4-triazine?
3-pyridin-2-yl-5,6-dithiophen-2-yl-1,2,4-triazine has a molecular weight of 322.42 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-5,6-dithiophen-2-yl-1,2,4-triazine is sourced from PubChem (CID 19983587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).