4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde

C9H8ClN5OS — CID 80687800

IUPAC4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(N2CCn3cnnc3C2)nc1Cl
InChIInChI=1S/C9H8ClN5OS/c10-8-6(4-16)17-9(12-8)14-1-2-15-5-11-13-7(15)3-14/h4-5H,1-3H2
InChIKeyCQWGSTPCVCLGQP-UHFFFAOYSA-N
MW269.72 g/mol
LogP1.22
Rot. Bonds2

About 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde

4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 80687800) has the molecular formula C9H8ClN5OS and a molecular weight of 269.72 g/mol. Its IUPAC name is 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID80687800
Molecular FormulaC9H8ClN5OS
Molecular Weight269.72 g/mol
Exact Mass269.01
IUPAC Name4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(N2CCn3cnnc3C2)nc1Cl
InChIInChI=1S/C9H8ClN5OS/c10-8-6(4-16)17-9(12-8)14-1-2-15-5-11-13-7(15)3-14/h4-5H,1-3H2
InChIKeyCQWGSTPCVCLGQP-UHFFFAOYSA-N
XLogP1.22
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.72
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazole-5-carbaldehyde
CID 64578698
4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazole-5-carbaldehyde
CID 80690312
methyl 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate
CID 64576628
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde
CID 64579085
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 64579088
4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde
CID 80687705
4-Chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687805
4-chloro-5-(chloromethyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole
CID 80688333
[4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanol
CID 80692705
4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylic acid
CID 80692974
4-chloro-2-[3-(propan-2-yl)-1H-1,2,4-triazol-1-yl]-1,3-thiazole-5-carbaldehyde
CID 165957654
4-chloro-2-(3-cyclopropyl-1H-1,2,4-triazol-1-yl)-1,3-thiazole-5-carbaldehyde
CID 165959010

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde (CID 80687800) is 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde is O=Cc1sc(N2CCn3cnnc3C2)nc1Cl.
What is the InChIKey of 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is CQWGSTPCVCLGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5OS/c10-8-6(4-16)17-9(12-8)14-1-2-15-5-11-13-7(15)3-14/h4-5H,1-3H2.
What are the key properties of 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 269.72 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 80687800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).