N,N-dimethyl-4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-sulfonamide

C16H20N8O2S — CID 30680638

IUPACN,N-dimethyl-4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1
InChIInChI=1S/C16H20N8O2S/c1-21(2)27(25,26)23-10-8-22(9-11-23)15-14-16(18-12-17-15)24(20-19-14)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyZEHAFZHBSAZUDZ-UHFFFAOYSA-N
MW388.46 g/mol
LogP0.14
Rot. Bonds4

About N,N-dimethyl-4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-sulfonamide

N,N-dimethyl-4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-sulfonamide (PubChem CID 30680638) has the molecular formula C16H20N8O2S and a molecular weight of 388.46 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-sulfonamide
PubChem CID30680638
Molecular FormulaC16H20N8O2S
Molecular Weight388.46 g/mol
Exact Mass388.14
IUPAC NameN,N-dimethyl-4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1
InChIInChI=1S/C16H20N8O2S/c1-21(2)27(25,26)23-10-8-22(9-11-23)15-14-16(18-12-17-15)24(20-19-14)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyZEHAFZHBSAZUDZ-UHFFFAOYSA-N
XLogP0.14
TPSA100.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-(4-methylsulfonylpiperazin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine
CID 26844856
7-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
CID 26844861
7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
CID 26844862
7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
CID 163346665
(2-methylsulfonylphenyl)-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 26844747
7-(3,6-dihydro-2H-pyridin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine
CID 171334834
7-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(4-methylphenyl)triazolo[4,5-d]pyrimidine
CID 41245589
3-(3-fluorophenyl)-7-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]triazolo[4,5-d]pyrimidine
CID 16811433
3-(3-fluorophenyl)-7-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]triazolo[4,5-d]pyrimidine
CID 26844925
naphthalen-2-yl-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 42523067
[2-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carbonyl]phenyl] acetate
CID 42523097
7-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidine
CID 18588184

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-sulfonamide (CID 30680638) is N,N-dimethyl-4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1.
What is the InChIKey of N,N-dimethyl-4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-sulfonamide?
The InChIKey is ZEHAFZHBSAZUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O2S/c1-21(2)27(25,26)23-10-8-22(9-11-23)15-14-16(18-12-17-15)24(20-19-14)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-sulfonamide?
N,N-dimethyl-4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-sulfonamide has a molecular weight of 388.46 g/mol, XLogP of 0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-sulfonamide is sourced from PubChem (CID 30680638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).