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

C13H15N9S — CID 1248117

IUPAC2-N,2-N-dimethyl-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSc2nnnn2-c2ccccc2)n1
InChIInChI=1S/C13H15N9S/c1-21(2)12-16-10(15-11(14)17-12)8-23-13-18-19-20-22(13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyBCGLGHKBCNEHSY-UHFFFAOYSA-N
MW329.39 g/mol
LogP0.79
Rot. Bonds5

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

2-N,2-N-dimethyl-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 1248117) has the molecular formula C13H15N9S and a molecular weight of 329.39 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID1248117
Molecular FormulaC13H15N9S
Molecular Weight329.39 g/mol
Exact Mass329.12
IUPAC Name2-N,2-N-dimethyl-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSc2nnnn2-c2ccccc2)n1
InChIInChI=1S/C13H15N9S/c1-21(2)12-16-10(15-11(14)17-12)8-23-13-18-19-20-22(13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyBCGLGHKBCNEHSY-UHFFFAOYSA-N
XLogP0.79
TPSA111.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Related Compounds

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-[(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-({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]thio}methyl)-N,N-dimethyl-1,3,5-triazine-2,4-diamine
CID 974762
6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-N-phenyl-1,3,5-triazine-2,4-diamine
CID 1625297
N2-phenyl-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1,3,5-triazine-2,4-diamine
CID 1201976
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-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 2621245
2-[(5-Methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile
CID 16196670
6-((5-amino-1,3,4-thiadiazol-2-ylthio)methyl)-N2-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 17567779
6-[[[1-(2,6-dimethylphenyl)-5-tetrazolyl]thio]methyl]-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine
CID 17452347
6-[[[1-(4-chlorophenyl)-5-tetrazolyl]thio]methyl]-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine
CID 17564913

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 1248117) is 2-N,2-N-dimethyl-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CSc2nnnn2-c2ccccc2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is BCGLGHKBCNEHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N9S/c1-21(2)12-16-10(15-11(14)17-12)8-23-13-18-19-20-22(13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-N,2-N-dimethyl-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 329.39 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1248117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).