6-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-3-thiophen-2-yl-1,2,4-triazine

C18H13ClN4S — CID 6404958

IUPAC6-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-3-thiophen-2-yl-1,2,4-triazine
SMILESCn1cccc1-c1nc(-c2cccs2)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN4S/c1-23-10-2-4-14(23)17-16(12-6-8-13(19)9-7-12)21-22-18(20-17)15-5-3-11-24-15/h2-11H,1H3
InChIKeyPHWNXYIEJFJHJI-UHFFFAOYSA-N
MW352.85 g/mol
LogP4.93
Rot. Bonds3

About 6-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-3-thiophen-2-yl-1,2,4-triazine

6-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-3-thiophen-2-yl-1,2,4-triazine (PubChem CID 6404958) has the molecular formula C18H13ClN4S and a molecular weight of 352.85 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-3-thiophen-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-3-thiophen-2-yl-1,2,4-triazine
PubChem CID6404958
Molecular FormulaC18H13ClN4S
Molecular Weight352.85 g/mol
Exact Mass352.05
IUPAC Name6-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-3-thiophen-2-yl-1,2,4-triazine
SMILESCn1cccc1-c1nc(-c2cccs2)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN4S/c1-23-10-2-4-14(23)17-16(12-6-8-13(19)9-7-12)21-22-18(20-17)15-5-3-11-24-15/h2-11H,1H3
InChIKeyPHWNXYIEJFJHJI-UHFFFAOYSA-N
XLogP4.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-3-thiophen-2-yl-1,2,4-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyrimidine
CID 14877344
5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine
CID 134997336
3-(1-methylpyrrol-2-yl)-5-thiophen-2-yl-1,2,6-thiadiazin-4-one
CID 86278760
5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole
CID 57160963
3-(4-chlorophenyl)-1-methyl-5-thiophen-2-ylpyrazole
CID 56998816
2-(4-chlorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
CID 3734578
4-chloro-5-iodo-6-phenyl-2-thiophen-2-ylpyrimidine
CID 66293940
3-(4-chlorophenyl)-2-thiophen-2-ylthiophene
CID 172853479
3-thiophen-2-yl-1,2,4-benzotriazine
CID 135025345
5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 17467879
2-(4-chlorophenyl)-4-(4-methylphenyl)-6-thiophen-2-ylpyridine
CID 102488794
4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62733759

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-3-thiophen-2-yl-1,2,4-triazine?
The IUPAC name of 6-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-3-thiophen-2-yl-1,2,4-triazine (CID 6404958) is 6-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-3-thiophen-2-yl-1,2,4-triazine.
What is the SMILES notation for 6-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-3-thiophen-2-yl-1,2,4-triazine?
The canonical SMILES for 6-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-3-thiophen-2-yl-1,2,4-triazine is Cn1cccc1-c1nc(-c2cccs2)nnc1-c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-3-thiophen-2-yl-1,2,4-triazine?
The InChIKey is PHWNXYIEJFJHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4S/c1-23-10-2-4-14(23)17-16(12-6-8-13(19)9-7-12)21-22-18(20-17)15-5-3-11-24-15/h2-11H,1H3.
What are the key properties of 6-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-3-thiophen-2-yl-1,2,4-triazine?
6-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-3-thiophen-2-yl-1,2,4-triazine has a molecular weight of 352.85 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-3-thiophen-2-yl-1,2,4-triazine is sourced from PubChem (CID 6404958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).