2-(4-chloro-1,3,5-triazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid

C10H12ClN5O2 — CID 88852488

IUPAC2-(4-chloro-1,3,5-triazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
SMILESO=C(O)N1CC2CN(c3ncnc(Cl)n3)CC2C1
InChIInChI=1S/C10H12ClN5O2/c11-8-12-5-13-9(14-8)15-1-6-3-16(10(17)18)4-7(6)2-15/h5-7H,1-4H2,(H,17,18)
InChIKeyUNHYIWBGCDKVJL-UHFFFAOYSA-N
MW269.69 g/mol
LogP0.57
Rot. Bonds1

About 2-(4-chloro-1,3,5-triazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid

2-(4-chloro-1,3,5-triazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid (PubChem CID 88852488) has the molecular formula C10H12ClN5O2 and a molecular weight of 269.69 g/mol. Its IUPAC name is 2-(4-chloro-1,3,5-triazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-chloro-1,3,5-triazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
PubChem CID88852488
Molecular FormulaC10H12ClN5O2
Molecular Weight269.69 g/mol
Exact Mass269.07
IUPAC Name2-(4-chloro-1,3,5-triazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
SMILESO=C(O)N1CC2CN(c3ncnc(Cl)n3)CC2C1
InChIInChI=1S/C10H12ClN5O2/c11-8-12-5-13-9(14-8)15-1-6-3-16(10(17)18)4-7(6)2-15/h5-7H,1-4H2,(H,17,18)
InChIKeyUNHYIWBGCDKVJL-UHFFFAOYSA-N
XLogP0.57
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-1,3,5-triazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid 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 2-(4-chloro-1,3,5-triazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid?
The IUPAC name of 2-(4-chloro-1,3,5-triazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid (CID 88852488) is 2-(4-chloro-1,3,5-triazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid.
What is the SMILES notation for 2-(4-chloro-1,3,5-triazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid?
The canonical SMILES for 2-(4-chloro-1,3,5-triazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid is O=C(O)N1CC2CN(c3ncnc(Cl)n3)CC2C1.
What is the InChIKey of 2-(4-chloro-1,3,5-triazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid?
The InChIKey is UNHYIWBGCDKVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O2/c11-8-12-5-13-9(14-8)15-1-6-3-16(10(17)18)4-7(6)2-15/h5-7H,1-4H2,(H,17,18).
What are the key properties of 2-(4-chloro-1,3,5-triazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid?
2-(4-chloro-1,3,5-triazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid has a molecular weight of 269.69 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3,5-triazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid is sourced from PubChem (CID 88852488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).