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

C9H9Cl2N5S — CID 80688333

IUPAC4-chloro-5-(chloromethyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole
SMILESClCc1sc(N2CCn3cnnc3C2)nc1Cl
InChIInChI=1S/C9H9Cl2N5S/c10-3-6-8(11)13-9(17-6)15-1-2-16-5-12-14-7(16)4-15/h5H,1-4H2
InChIKeyHPBZENXVBHGDKM-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.15
Rot. Bonds2

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

4-chloro-5-(chloromethyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole (PubChem CID 80688333) has the molecular formula C9H9Cl2N5S and a molecular weight of 290.18 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole
PubChem CID80688333
Molecular FormulaC9H9Cl2N5S
Molecular Weight290.18 g/mol
Exact Mass289.00
IUPAC Name4-chloro-5-(chloromethyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole
SMILESClCc1sc(N2CCn3cnnc3C2)nc1Cl
InChIInChI=1S/C9H9Cl2N5S/c10-3-6-8(11)13-9(17-6)15-1-2-16-5-12-14-7(16)4-15/h5H,1-4H2
InChIKeyHPBZENXVBHGDKM-UHFFFAOYSA-N
XLogP2.15
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-chloro-5-(chloromethyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole 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 4-chloro-5-(chloromethyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole?
The IUPAC name of 4-chloro-5-(chloromethyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole (CID 80688333) is 4-chloro-5-(chloromethyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole?
The canonical SMILES for 4-chloro-5-(chloromethyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole is ClCc1sc(N2CCn3cnnc3C2)nc1Cl.
What is the InChIKey of 4-chloro-5-(chloromethyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole?
The InChIKey is HPBZENXVBHGDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N5S/c10-3-6-8(11)13-9(17-6)15-1-2-16-5-12-14-7(16)4-15/h5H,1-4H2.
What are the key properties of 4-chloro-5-(chloromethyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole?
4-chloro-5-(chloromethyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole has a molecular weight of 290.18 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(chloromethyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole is sourced from PubChem (CID 80688333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).