(E)-N-methoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine

C15H12N6O2S — CID 118081709

IUPAC(E)-N-methoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine
SMILESCO/N=C1\CCOc2nnc(-c3cnc(-c4cccnc4)s3)nc21
InChIInChI=1S/C15H12N6O2S/c1-22-21-10-4-6-23-14-12(10)18-13(19-20-14)11-8-17-15(24-11)9-3-2-5-16-7-9/h2-3,5,7-8H,4,6H2,1H3/b21-10+
InChIKeyZAQZSSIQZSGUPL-UFFVCSGVSA-N
MW340.37 g/mol
LogP2.19
Rot. Bonds3

About (E)-N-methoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine

(E)-N-methoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine (PubChem CID 118081709) has the molecular formula C15H12N6O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is (E)-N-methoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine.

Molecular Properties

Compound Name(E)-N-methoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine
PubChem CID118081709
Molecular FormulaC15H12N6O2S
Molecular Weight340.37 g/mol
Exact Mass340.07
IUPAC Name(E)-N-methoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine
SMILESCO/N=C1\CCOc2nnc(-c3cnc(-c4cccnc4)s3)nc21
InChIInChI=1S/C15H12N6O2S/c1-22-21-10-4-6-23-14-12(10)18-13(19-20-14)11-8-17-15(24-11)9-3-2-5-16-7-9/h2-3,5,7-8H,4,6H2,1H3/b21-10+
InChIKeyZAQZSSIQZSGUPL-UFFVCSGVSA-N
XLogP2.19
TPSA95.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-methoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine 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 (E)-N-methoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine?
The IUPAC name of (E)-N-methoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine (CID 118081709) is (E)-N-methoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine.
What is the SMILES notation for (E)-N-methoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine?
The canonical SMILES for (E)-N-methoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine is CO/N=C1\CCOc2nnc(-c3cnc(-c4cccnc4)s3)nc21.
What is the InChIKey of (E)-N-methoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine?
The InChIKey is ZAQZSSIQZSGUPL-UFFVCSGVSA-N. The full InChI is InChI=1S/C15H12N6O2S/c1-22-21-10-4-6-23-14-12(10)18-13(19-20-14)11-8-17-15(24-11)9-3-2-5-16-7-9/h2-3,5,7-8H,4,6H2,1H3/b21-10+.
What are the key properties of (E)-N-methoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine?
(E)-N-methoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine has a molecular weight of 340.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine is sourced from PubChem (CID 118081709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).