6-[1-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C16H19ClN8S — CID 51279678

IUPAC6-[1-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC(Sc1nnc(-c2ccc(Cl)cc2)n1C)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C16H19ClN8S/c1-9(12-19-14(18)21-15(20-12)24(2)3)26-16-23-22-13(25(16)4)10-5-7-11(17)8-6-10/h5-9H,1-4H3,(H2,18,19,20,21)
InChIKeyHWUAMKMAFBACPX-UHFFFAOYSA-N
MW390.90 g/mol
LogP2.82
Rot. Bonds5

About 6-[1-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[1-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 51279678) has the molecular formula C16H19ClN8S and a molecular weight of 390.90 g/mol. Its IUPAC name is 6-[1-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID51279678
Molecular FormulaC16H19ClN8S
Molecular Weight390.90 g/mol
Exact Mass390.11
IUPAC Name6-[1-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC(Sc1nnc(-c2ccc(Cl)cc2)n1C)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C16H19ClN8S/c1-9(12-19-14(18)21-15(20-12)24(2)3)26-16-23-22-13(25(16)4)10-5-7-11(17)8-6-10/h5-9H,1-4H3,(H2,18,19,20,21)
InChIKeyHWUAMKMAFBACPX-UHFFFAOYSA-N
XLogP2.82
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[1-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)-4-methyl-5-[(1S)-1-phenylethyl]sulfanyl-1,2,4-triazole
CID 2551331
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 2998345
6-[1-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 46658459
(2R)-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
CID 2603221
2-N,2-N-dimethyl-6-[1-(2-methylphenyl)sulfanylethyl]-1,3,5-triazine-2,4-diamine
CID 47357389
2-N,2-N-dimethyl-6-[(1R)-1-(1-phenylimidazol-2-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine
CID 25342164
6-[1-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 55458327
6-[(1S)-1-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 35500385
2-N,2-N-dimethyl-6-[1-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine
CID 46658395
6-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 46658121
6-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 17434759
3-[1-(2-chlorophenyl)ethylsulfanyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole
CID 16518810

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 51279678) is 6-[1-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CC(Sc1nnc(-c2ccc(Cl)cc2)n1C)c1nc(N)nc(N(C)C)n1.
What is the InChIKey of 6-[1-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HWUAMKMAFBACPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN8S/c1-9(12-19-14(18)21-15(20-12)24(2)3)26-16-23-22-13(25(16)4)10-5-7-11(17)8-6-10/h5-9H,1-4H3,(H2,18,19,20,21).
What are the key properties of 6-[1-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[1-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 390.90 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 51279678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).