6-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C15H19N9S — CID 17452347

IUPAC6-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(C)c1-n1nnnc1SCc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C15H19N9S/c1-9-6-5-7-10(2)12(9)24-15(20-21-22-24)25-8-11-17-13(16)19-14(18-11)23(3)4/h5-7H,8H2,1-4H3,(H2,16,17,18,19)
InChIKeySAIPSYFILFBTPK-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.40
Rot. Bonds5

About 6-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 17452347) has the molecular formula C15H19N9S and a molecular weight of 357.45 g/mol. Its IUPAC name is 6-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID17452347
Molecular FormulaC15H19N9S
Molecular Weight357.45 g/mol
Exact Mass357.15
IUPAC Name6-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(C)c1-n1nnnc1SCc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C15H19N9S/c1-9-6-5-7-10(2)12(9)24-15(20-21-22-24)25-8-11-17-13(16)19-14(18-11)23(3)4/h5-7H,8H2,1-4H3,(H2,16,17,18,19)
InChIKeySAIPSYFILFBTPK-UHFFFAOYSA-N
XLogP1.40
TPSA111.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N2,N2-dimethyl-6-[[[1-(1-naphthalenyl)-5-tetrazolyl]thio]methyl]-1,3,5-triazine-2,4-diamine
CID 1517919
N-(4-methylphenyl)-6-{[(1-phenyl-1H-tetrazol-5-yl)thio]methyl}-1,3,5-triazine-2,4-diamine
CID 1300017
2-N-(2-methylphenyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 2545080
2-N-(2-methylphenyl)-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 2545149
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2612925
6-(4-Methyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-N-p-tolyl-[1,3,5]triazine-2,4-diamine
CID 751849
6-({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]thio}methyl)-N,N-dimethyl-1,3,5-triazine-2,4-diamine
CID 974762
N2,N2-dimethyl-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1,3,5-triazine-2,4-diamine
CID 1248117
N-(4-ethylphenyl)-6-{[(1-phenyl-1H-tetrazol-5-yl)thio]methyl}-1,3,5-triazine-2,4-diamine
CID 1422080
2-N-(2-methylphenyl)-6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 2105306
2-N-(2-methylphenyl)-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 2621245
6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2545147

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 17452347) is 6-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is Cc1cccc(C)c1-n1nnnc1SCc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 6-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SAIPSYFILFBTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N9S/c1-9-6-5-7-10(2)12(9)24-15(20-21-22-24)25-8-11-17-13(16)19-14(18-11)23(3)4/h5-7H,8H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 6-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 357.45 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17452347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).