3-chloro-5-(3-phenylprop-2-enoxy)-1,2,4-triazine

C12H10ClN3O — CID 114999587

IUPAC3-chloro-5-(3-phenylprop-2-enoxy)-1,2,4-triazine
SMILESClc1nncc(OCC=Cc2ccccc2)n1
InChIInChI=1S/C12H10ClN3O/c13-12-15-11(9-14-16-12)17-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2
InChIKeyDHTASXFTCLYOGJ-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.62
Rot. Bonds4

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

3-chloro-5-(3-phenylprop-2-enoxy)-1,2,4-triazine (PubChem CID 114999587) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 3-chloro-5-(3-phenylprop-2-enoxy)-1,2,4-triazine.

Molecular Properties

Compound Name3-chloro-5-(3-phenylprop-2-enoxy)-1,2,4-triazine
PubChem CID114999587
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name3-chloro-5-(3-phenylprop-2-enoxy)-1,2,4-triazine
SMILESClc1nncc(OCC=Cc2ccccc2)n1
InChIInChI=1S/C12H10ClN3O/c13-12-15-11(9-14-16-12)17-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2
InChIKeyDHTASXFTCLYOGJ-UHFFFAOYSA-N
XLogP2.62
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-phenylprop-2-enoxy)-1,2,4-triazine?
The IUPAC name of 3-chloro-5-(3-phenylprop-2-enoxy)-1,2,4-triazine (CID 114999587) is 3-chloro-5-(3-phenylprop-2-enoxy)-1,2,4-triazine.
What is the SMILES notation for 3-chloro-5-(3-phenylprop-2-enoxy)-1,2,4-triazine?
The canonical SMILES for 3-chloro-5-(3-phenylprop-2-enoxy)-1,2,4-triazine is Clc1nncc(OCC=Cc2ccccc2)n1.
What is the InChIKey of 3-chloro-5-(3-phenylprop-2-enoxy)-1,2,4-triazine?
The InChIKey is DHTASXFTCLYOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-12-15-11(9-14-16-12)17-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2.
What are the key properties of 3-chloro-5-(3-phenylprop-2-enoxy)-1,2,4-triazine?
3-chloro-5-(3-phenylprop-2-enoxy)-1,2,4-triazine has a molecular weight of 247.69 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-phenylprop-2-enoxy)-1,2,4-triazine is sourced from PubChem (CID 114999587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).