[(1R,2S)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropyl]methanimine

C8H8Cl2N4O — CID 121426674

IUPAC[(1R,2S)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropyl]methanimine
SMILES[H]/N=C/[C@@H]1C[C@@H]1COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H8Cl2N4O/c9-6-12-7(10)14-8(13-6)15-3-5-1-4(5)2-11/h2,4-5,11H,1,3H2/b11-2+/t4-,5+/m0/s1
InChIKeyLPPZARSRIHTWOA-JSZYGRFYSA-N
MW247.09 g/mol
LogP1.84
Rot. Bonds4

About [(1R,2S)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropyl]methanimine

[(1R,2S)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropyl]methanimine (PubChem CID 121426674) has the molecular formula C8H8Cl2N4O and a molecular weight of 247.09 g/mol. Its IUPAC name is [(1R,2S)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropyl]methanimine.

Molecular Properties

Compound Name[(1R,2S)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropyl]methanimine
PubChem CID121426674
Molecular FormulaC8H8Cl2N4O
Molecular Weight247.09 g/mol
Exact Mass246.01
IUPAC Name[(1R,2S)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropyl]methanimine
SMILES[H]/N=C/[C@@H]1C[C@@H]1COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H8Cl2N4O/c9-6-12-7(10)14-8(13-6)15-3-5-1-4(5)2-11/h2,4-5,11H,1,3H2/b11-2+/t4-,5+/m0/s1
InChIKeyLPPZARSRIHTWOA-JSZYGRFYSA-N
XLogP1.84
TPSA71.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(1R,2S)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropyl]methanimine 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 [(1R,2S)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropyl]methanimine?
The IUPAC name of [(1R,2S)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropyl]methanimine (CID 121426674) is [(1R,2S)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropyl]methanimine.
What is the SMILES notation for [(1R,2S)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropyl]methanimine?
The canonical SMILES for [(1R,2S)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropyl]methanimine is [H]/N=C/[C@@H]1C[C@@H]1COc1nc(Cl)nc(Cl)n1.
What is the InChIKey of [(1R,2S)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropyl]methanimine?
The InChIKey is LPPZARSRIHTWOA-JSZYGRFYSA-N. The full InChI is InChI=1S/C8H8Cl2N4O/c9-6-12-7(10)14-8(13-6)15-3-5-1-4(5)2-11/h2,4-5,11H,1,3H2/b11-2+/t4-,5+/m0/s1.
What are the key properties of [(1R,2S)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropyl]methanimine?
[(1R,2S)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropyl]methanimine has a molecular weight of 247.09 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropyl]methanimine is sourced from PubChem (CID 121426674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).