4-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]thiomorpholine

C19H17ClN4S — CID 6402472

IUPAC4-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]thiomorpholine
SMILESClc1ccc(-c2nnc(-c3ccccc3)c(N3CCSCC3)n2)cc1
InChIInChI=1S/C19H17ClN4S/c20-16-8-6-15(7-9-16)18-21-19(24-10-12-25-13-11-24)17(22-23-18)14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyQNFAGAPWMNDJKM-UHFFFAOYSA-N
MW368.89 g/mol
LogP4.41
Rot. Bonds3

About 4-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]thiomorpholine

4-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]thiomorpholine (PubChem CID 6402472) has the molecular formula C19H17ClN4S and a molecular weight of 368.89 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]thiomorpholine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]thiomorpholine
PubChem CID6402472
Molecular FormulaC19H17ClN4S
Molecular Weight368.89 g/mol
Exact Mass368.09
IUPAC Name4-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]thiomorpholine
SMILESClc1ccc(-c2nnc(-c3ccccc3)c(N3CCSCC3)n2)cc1
InChIInChI=1S/C19H17ClN4S/c20-16-8-6-15(7-9-16)18-21-19(24-10-12-25-13-11-24)17(22-23-18)14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyQNFAGAPWMNDJKM-UHFFFAOYSA-N
XLogP4.41
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-Bis(4-chlorophenyl)-3-(methylsulfanyl)-1,2,4-triazine
CID 3053046
3-(4-Chlorophenyl)-5,6-diphenyl-1,2,4-triazine
CID 6409904
3-(4-Bromophenyl)-6-phenyl-5-(4-thiomorpholinyl)-1,2,4-triazine
CID 6402471
6-(4-Bromophenyl)-3-(4-chlorophenyl)-5-(4-thiomorpholinyl)-1,2,4-triazine
CID 6405730
6-(4-chlorophenyl)-3-isopropyl-N,N-dimethyl-1,2,4-triazin-5-amine
CID 6418587
3-(4-Methylpiperazino)-5,6-diphenyl-1,2,4-triazine
CID 6409930
4-Chlorobenzyl 5,6-diphenyl-1,2,4-triazin-3-YL sulfide
CID 3126444
6-(4-Chlorophenyl)-3-phenyl-5-(4-thiomorpholinyl)-1,2,4-triazine
CID 6402470
N~1~-[3-(4-chlorophenyl)-6-methyl-1,2,4-triazin-5-yl]-N~2~,N~2~-dimethyl-1,2-ethanediamine
CID 6411703
5,6-Bis(4-chlorophenyl)-3-ethylsulfanyl-1,2,4-triazine
CID 46871850
5,6-Bis(4-chlorophenyl)-3-propylsulfanyl-1,2,4-triazine
CID 46871851
3-Butylsulfanyl-5,6-bis(4-chlorophenyl)-1,2,4-triazine
CID 46906108

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]thiomorpholine?
The IUPAC name of 4-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]thiomorpholine (CID 6402472) is 4-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]thiomorpholine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]thiomorpholine?
The canonical SMILES for 4-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]thiomorpholine is Clc1ccc(-c2nnc(-c3ccccc3)c(N3CCSCC3)n2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]thiomorpholine?
The InChIKey is QNFAGAPWMNDJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4S/c20-16-8-6-15(7-9-16)18-21-19(24-10-12-25-13-11-24)17(22-23-18)14-4-2-1-3-5-14/h1-9H,10-13H2.
What are the key properties of 4-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]thiomorpholine?
4-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]thiomorpholine has a molecular weight of 368.89 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]thiomorpholine is sourced from PubChem (CID 6402472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).