2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol

C11H15ClN6O2 — CID 106311250

IUPAC2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol
SMILESOCCOCCCNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H15ClN6O2/c12-9-15-10(13-3-2-7-20-8-6-19)17-11(16-9)18-5-1-4-14-18/h1,4-5,19H,2-3,6-8H2,(H,13,15,16,17)
InChIKeyIEJNEAUBEQWHBR-UHFFFAOYSA-N
MW298.73 g/mol
LogP0.52
Rot. Bonds8

About 2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol

2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol (PubChem CID 106311250) has the molecular formula C11H15ClN6O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol
PubChem CID106311250
Molecular FormulaC11H15ClN6O2
Molecular Weight298.73 g/mol
Exact Mass298.09
IUPAC Name2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol
SMILESOCCOCCCNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H15ClN6O2/c12-9-15-10(13-3-2-7-20-8-6-19)17-11(16-9)18-5-1-4-14-18/h1,4-5,19H,2-3,6-8H2,(H,13,15,16,17)
InChIKeyIEJNEAUBEQWHBR-UHFFFAOYSA-N
XLogP0.52
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol 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-[2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 80826375
4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63003609
4-chloro-N-(2-cyclopentyloxyethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63834603
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 115361922
4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
CID 106248418
2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311585
2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62864873
4-chloro-N-(2-cyclohexylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62864407
4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 113494206
5-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324134
4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 55124960
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
CID 106279537

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol?
The IUPAC name of 2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol (CID 106311250) is 2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol?
The canonical SMILES for 2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol is OCCOCCCNc1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol?
The InChIKey is IEJNEAUBEQWHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6O2/c12-9-15-10(13-3-2-7-20-8-6-19)17-11(16-9)18-5-1-4-14-18/h1,4-5,19H,2-3,6-8H2,(H,13,15,16,17).
What are the key properties of 2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol?
2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol has a molecular weight of 298.73 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol is sourced from PubChem (CID 106311250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).