N,N-diethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C11H17N5O2S — CID 551849

IUPACN,N-diethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C11H17N5O2S/c1-5-15(6-2)19(17,18)11-13-10-12-8(3)7-9(4)16(10)14-11/h7H,5-6H2,1-4H3
InChIKeyIOOAVTHDHQIJAY-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.77
Rot. Bonds4

About N,N-diethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

N,N-diethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 551849) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is N,N-diethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID551849
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC NameN,N-diethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C11H17N5O2S/c1-5-15(6-2)19(17,18)11-13-10-12-8(3)7-9(4)16(10)14-11/h7H,5-6H2,1-4H3
InChIKeyIOOAVTHDHQIJAY-UHFFFAOYSA-N
XLogP0.77
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N,N-diethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 551849) is N,N-diethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N,N-diethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N,N-diethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is CCN(CC)S(=O)(=O)c1nc2nc(C)cc(C)n2n1.
What is the InChIKey of N,N-diethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is IOOAVTHDHQIJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-5-15(6-2)19(17,18)11-13-10-12-8(3)7-9(4)16(10)14-11/h7H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N,N-diethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 283.36 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 551849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).