3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol

C9H14ClN3O3 — CID 62870657

IUPAC3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol
SMILESCCCOc1nc(Cl)nc(OCCCO)n1
InChIInChI=1S/C9H14ClN3O3/c1-2-5-15-8-11-7(10)12-9(13-8)16-6-3-4-14/h14H,2-6H2,1H3
InChIKeyCIJCXXOXZDGTFT-UHFFFAOYSA-N
MW247.68 g/mol
LogP1.08
Rot. Bonds7

About 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol

3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol (PubChem CID 62870657) has the molecular formula C9H14ClN3O3 and a molecular weight of 247.68 g/mol. Its IUPAC name is 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol.

Molecular Properties

Compound Name3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol
PubChem CID62870657
Molecular FormulaC9H14ClN3O3
Molecular Weight247.68 g/mol
Exact Mass247.07
IUPAC Name3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol
SMILESCCCOc1nc(Cl)nc(OCCCO)n1
InChIInChI=1S/C9H14ClN3O3/c1-2-5-15-8-11-7(10)12-9(13-8)16-6-3-4-14/h14H,2-6H2,1H3
InChIKeyCIJCXXOXZDGTFT-UHFFFAOYSA-N
XLogP1.08
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4,6-dioctadecoxy-1,3,5-triazine
CID 14236381
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 62870340
2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol
CID 87430184
6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 114009389
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol
CID 62864995
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine
CID 62868290
2-chloro-4-ethoxy-6-hexoxy-1,3,5-triazine
CID 62857023
2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethanol
CID 62859409
2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine
CID 62857809
2-chloro-4-methylsulfanyl-6-propoxy-1,3,5-triazine
CID 62865803
2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine
CID 63505127
2-(4-bromo-3,5-dimethylphenoxy)-4-chloro-6-propoxy-1,3,5-triazine
CID 107723136

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol?
The IUPAC name of 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol (CID 62870657) is 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol.
What is the SMILES notation for 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol?
The canonical SMILES for 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol is CCCOc1nc(Cl)nc(OCCCO)n1.
What is the InChIKey of 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol?
The InChIKey is CIJCXXOXZDGTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O3/c1-2-5-15-8-11-7(10)12-9(13-8)16-6-3-4-14/h14H,2-6H2,1H3.
What are the key properties of 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol?
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol has a molecular weight of 247.68 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol is sourced from PubChem (CID 62870657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).