2-chloro-4-(oxolan-3-yloxy)-6-propoxy-1,3,5-triazine

C10H14ClN3O3 — CID 63557044

IUPAC2-chloro-4-(oxolan-3-yloxy)-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(OC2CCOC2)n1
InChIInChI=1S/C10H14ClN3O3/c1-2-4-16-9-12-8(11)13-10(14-9)17-7-3-5-15-6-7/h7H,2-6H2,1H3
InChIKeyINNQLVCCGPZEGL-UHFFFAOYSA-N
MW259.69 g/mol
LogP1.48
Rot. Bonds5

About 2-chloro-4-(oxolan-3-yloxy)-6-propoxy-1,3,5-triazine

2-chloro-4-(oxolan-3-yloxy)-6-propoxy-1,3,5-triazine (PubChem CID 63557044) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-chloro-4-(oxolan-3-yloxy)-6-propoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(oxolan-3-yloxy)-6-propoxy-1,3,5-triazine
PubChem CID63557044
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name2-chloro-4-(oxolan-3-yloxy)-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(OC2CCOC2)n1
InChIInChI=1S/C10H14ClN3O3/c1-2-4-16-9-12-8(11)13-10(14-9)17-7-3-5-15-6-7/h7H,2-6H2,1H3
InChIKeyINNQLVCCGPZEGL-UHFFFAOYSA-N
XLogP1.48
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(oxolan-3-yloxy)-6-propoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(oxolan-3-yloxy)-6-propoxy-1,3,5-triazine (CID 63557044) is 2-chloro-4-(oxolan-3-yloxy)-6-propoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(oxolan-3-yloxy)-6-propoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(oxolan-3-yloxy)-6-propoxy-1,3,5-triazine is CCCOc1nc(Cl)nc(OC2CCOC2)n1.
What is the InChIKey of 2-chloro-4-(oxolan-3-yloxy)-6-propoxy-1,3,5-triazine?
The InChIKey is INNQLVCCGPZEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-2-4-16-9-12-8(11)13-10(14-9)17-7-3-5-15-6-7/h7H,2-6H2,1H3.
What are the key properties of 2-chloro-4-(oxolan-3-yloxy)-6-propoxy-1,3,5-triazine?
2-chloro-4-(oxolan-3-yloxy)-6-propoxy-1,3,5-triazine has a molecular weight of 259.69 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(oxolan-3-yloxy)-6-propoxy-1,3,5-triazine is sourced from PubChem (CID 63557044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).