2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine

C8H5ClN8S — CID 107780778

IUPAC2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
SMILESClc1nc(Sc2ncc[nH]2)nc(-n2cncn2)n1
InChIInChI=1S/C8H5ClN8S/c9-5-14-6(17-4-10-3-13-17)16-8(15-5)18-7-11-1-2-12-7/h1-4H,(H,11,12)
InChIKeyRFMWZLKVLWKQPJ-UHFFFAOYSA-N
MW280.70 g/mol
LogP0.98
Rot. Bonds3

About 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine

2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine (PubChem CID 107780778) has the molecular formula C8H5ClN8S and a molecular weight of 280.70 g/mol. Its IUPAC name is 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
PubChem CID107780778
Molecular FormulaC8H5ClN8S
Molecular Weight280.70 g/mol
Exact Mass280.00
IUPAC Name2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
SMILESClc1nc(Sc2ncc[nH]2)nc(-n2cncn2)n1
InChIInChI=1S/C8H5ClN8S/c9-5-14-6(17-4-10-3-13-17)16-8(15-5)18-7-11-1-2-12-7/h1-4H,(H,11,12)
InChIKeyRFMWZLKVLWKQPJ-UHFFFAOYSA-N
XLogP0.98
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.70
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine with MolForge

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Related Compounds

4-(1H-imidazol-2-ylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 107784918
2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 62866348
2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methyl-1,3,5-triazine
CID 164655152
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-4-methyl-1,3-thiazole
CID 55124967
2-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 102925195
2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 62867733
N-ethyl-4-(1,2,4-triazol-1-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80884418
4-imidazol-1-yl-6-(1H-imidazol-2-ylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
CID 107784987
4-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62869350
3-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2,3-dimethylbutan-2-ol
CID 106192337
4-chloro-N-cyclohexyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62869193
4-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62868495

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine (CID 107780778) is 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine is Clc1nc(Sc2ncc[nH]2)nc(-n2cncn2)n1.
What is the InChIKey of 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The InChIKey is RFMWZLKVLWKQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN8S/c9-5-14-6(17-4-10-3-13-17)16-8(15-5)18-7-11-1-2-12-7/h1-4H,(H,11,12).
What are the key properties of 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine has a molecular weight of 280.70 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine is sourced from PubChem (CID 107780778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).