3-chloro-5-(1-phenylethoxy)-1,2,4-triazine

C11H10ClN3O — CID 114999692

IUPAC3-chloro-5-(1-phenylethoxy)-1,2,4-triazine
SMILESCC(Oc1cnnc(Cl)n1)c1ccccc1
InChIInChI=1S/C11H10ClN3O/c1-8(9-5-3-2-4-6-9)16-10-7-13-15-11(12)14-10/h2-8H,1H3
InChIKeyLYBVEAOKLJKTFO-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.66
Rot. Bonds3

About 3-chloro-5-(1-phenylethoxy)-1,2,4-triazine

3-chloro-5-(1-phenylethoxy)-1,2,4-triazine (PubChem CID 114999692) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 3-chloro-5-(1-phenylethoxy)-1,2,4-triazine.

Molecular Properties

Compound Name3-chloro-5-(1-phenylethoxy)-1,2,4-triazine
PubChem CID114999692
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name3-chloro-5-(1-phenylethoxy)-1,2,4-triazine
SMILESCC(Oc1cnnc(Cl)n1)c1ccccc1
InChIInChI=1S/C11H10ClN3O/c1-8(9-5-3-2-4-6-9)16-10-7-13-15-11(12)14-10/h2-8H,1H3
InChIKeyLYBVEAOKLJKTFO-UHFFFAOYSA-N
XLogP2.66
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine
CID 62483949
4-chloro-6-(1-phenylethoxy)pyrimidine
CID 61279152
3-chloro-5-(4-methoxyphenoxy)-1,2,4-triazine
CID 115001246
3-chloro-5-(3-phenylprop-2-enoxy)-1,2,4-triazine
CID 114999587
2-methoxy-6-(1-phenylethoxy)pyridin-3-amine
CID 43262353
5-bromo-4-methyl-2-(1-phenylethoxy)pyridine
CID 114870646
4-bromo-2-(1-phenylethoxy)pyridine
CID 170431674
5-amino-2-(1-phenylethoxy)pyridine-4-carboxamide
CID 114090660
5-bromo-2-(1-phenylethoxy)pyrimidine
CID 63867238
2-methyl-6-(1-phenylethoxy)pyridine-4-carboxylic acid
CID 113378245
2-ethyl-6-(1-phenylethoxy)pyrimidin-4-amine
CID 80941044
N'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide
CID 137013719

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1-phenylethoxy)-1,2,4-triazine?
The IUPAC name of 3-chloro-5-(1-phenylethoxy)-1,2,4-triazine (CID 114999692) is 3-chloro-5-(1-phenylethoxy)-1,2,4-triazine.
What is the SMILES notation for 3-chloro-5-(1-phenylethoxy)-1,2,4-triazine?
The canonical SMILES for 3-chloro-5-(1-phenylethoxy)-1,2,4-triazine is CC(Oc1cnnc(Cl)n1)c1ccccc1.
What is the InChIKey of 3-chloro-5-(1-phenylethoxy)-1,2,4-triazine?
The InChIKey is LYBVEAOKLJKTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-8(9-5-3-2-4-6-9)16-10-7-13-15-11(12)14-10/h2-8H,1H3.
What are the key properties of 3-chloro-5-(1-phenylethoxy)-1,2,4-triazine?
3-chloro-5-(1-phenylethoxy)-1,2,4-triazine has a molecular weight of 235.67 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1-phenylethoxy)-1,2,4-triazine is sourced from PubChem (CID 114999692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).