3,6-dichloro-5-(1-ethoxypropan-2-yloxy)-1,2,4-triazine

C8H11Cl2N3O2 — CID 103488102

IUPAC3,6-dichloro-5-(1-ethoxypropan-2-yloxy)-1,2,4-triazine
SMILESCCOCC(C)Oc1nc(Cl)nnc1Cl
InChIInChI=1S/C8H11Cl2N3O2/c1-3-14-4-5(2)15-7-6(9)12-13-8(10)11-7/h5H,3-4H2,1-2H3
InChIKeyYNCQWJFWXSPFRI-UHFFFAOYSA-N
MW252.10 g/mol
LogP1.98
Rot. Bonds5

About 3,6-dichloro-5-(1-ethoxypropan-2-yloxy)-1,2,4-triazine

3,6-dichloro-5-(1-ethoxypropan-2-yloxy)-1,2,4-triazine (PubChem CID 103488102) has the molecular formula C8H11Cl2N3O2 and a molecular weight of 252.10 g/mol. Its IUPAC name is 3,6-dichloro-5-(1-ethoxypropan-2-yloxy)-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-(1-ethoxypropan-2-yloxy)-1,2,4-triazine
PubChem CID103488102
Molecular FormulaC8H11Cl2N3O2
Molecular Weight252.10 g/mol
Exact Mass251.02
IUPAC Name3,6-dichloro-5-(1-ethoxypropan-2-yloxy)-1,2,4-triazine
SMILESCCOCC(C)Oc1nc(Cl)nnc1Cl
InChIInChI=1S/C8H11Cl2N3O2/c1-3-14-4-5(2)15-7-6(9)12-13-8(10)11-7/h5H,3-4H2,1-2H3
InChIKeyYNCQWJFWXSPFRI-UHFFFAOYSA-N
XLogP1.98
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dichloro-5-ethoxy-1,2,4-triazine
CID 81037904
[3,5-dichloro-6-(1-ethoxypropan-2-yloxy)-2-pyridinyl]hydrazine
CID 103491803
3,5-dichloro-6-(1-ethoxypropan-2-yloxy)-N-propylpyridin-2-amine
CID 103491550
2-chloro-6-(1-ethoxypropan-2-yloxy)pyrazine
CID 103488018
4-(1-ethoxypropan-2-yloxy)-N,5-dimethylpyrimidin-2-amine
CID 103491515
[3-(1-ethoxypropan-2-yloxy)pyridazin-4-yl]methanamine
CID 103486302
2,6-dichloro-3-(1-ethoxypropan-2-yloxymethyl)pyridine
CID 106994675
4-(1-ethoxypropan-2-yloxy)-5-iodopyrimidine
CID 103489535
2-chloro-6-(1-ethoxypropan-2-yloxymethyl)pyridine
CID 103487963
2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 103491535
2-cyclopropyl-6-(1-ethoxypropan-2-yloxy)-5-methyl-N-propylpyrimidin-4-amine
CID 103491719
[4-(1-ethoxypropan-2-yloxy)quinazolin-2-yl]hydrazine
CID 103491820

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-(1-ethoxypropan-2-yloxy)-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-(1-ethoxypropan-2-yloxy)-1,2,4-triazine (CID 103488102) is 3,6-dichloro-5-(1-ethoxypropan-2-yloxy)-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-(1-ethoxypropan-2-yloxy)-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-(1-ethoxypropan-2-yloxy)-1,2,4-triazine is CCOCC(C)Oc1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-5-(1-ethoxypropan-2-yloxy)-1,2,4-triazine?
The InChIKey is YNCQWJFWXSPFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3O2/c1-3-14-4-5(2)15-7-6(9)12-13-8(10)11-7/h5H,3-4H2,1-2H3.
What are the key properties of 3,6-dichloro-5-(1-ethoxypropan-2-yloxy)-1,2,4-triazine?
3,6-dichloro-5-(1-ethoxypropan-2-yloxy)-1,2,4-triazine has a molecular weight of 252.10 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-(1-ethoxypropan-2-yloxy)-1,2,4-triazine is sourced from PubChem (CID 103488102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).