4-[6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]morpholine

C13H12Cl2N4O — CID 46226407

IUPAC4-[6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]morpholine
SMILESClc1cccc(-c2cnc(N3CCOCC3)nn2)c1Cl
InChIInChI=1S/C13H12Cl2N4O/c14-10-3-1-2-9(12(10)15)11-8-16-13(18-17-11)19-4-6-20-7-5-19/h1-3,8H,4-7H2
InChIKeyJPCUZGQNFRVJEY-UHFFFAOYSA-N
MW311.17 g/mol
LogP2.68
Rot. Bonds2

About 4-[6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]morpholine

4-[6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]morpholine (PubChem CID 46226407) has the molecular formula C13H12Cl2N4O and a molecular weight of 311.17 g/mol. Its IUPAC name is 4-[6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]morpholine
PubChem CID46226407
Molecular FormulaC13H12Cl2N4O
Molecular Weight311.17 g/mol
Exact Mass310.04
IUPAC Name4-[6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]morpholine
SMILESClc1cccc(-c2cnc(N3CCOCC3)nn2)c1Cl
InChIInChI=1S/C13H12Cl2N4O/c14-10-3-1-2-9(12(10)15)11-8-16-13(18-17-11)19-4-6-20-7-5-19/h1-3,8H,4-7H2
InChIKeyJPCUZGQNFRVJEY-UHFFFAOYSA-N
XLogP2.68
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]morpholine?
The IUPAC name of 4-[6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]morpholine (CID 46226407) is 4-[6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]morpholine?
The canonical SMILES for 4-[6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]morpholine is Clc1cccc(-c2cnc(N3CCOCC3)nn2)c1Cl.
What is the InChIKey of 4-[6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]morpholine?
The InChIKey is JPCUZGQNFRVJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O/c14-10-3-1-2-9(12(10)15)11-8-16-13(18-17-11)19-4-6-20-7-5-19/h1-3,8H,4-7H2.
What are the key properties of 4-[6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]morpholine?
4-[6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]morpholine has a molecular weight of 311.17 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]morpholine is sourced from PubChem (CID 46226407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).