4-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide

C15H19N7O2S — CID 23645577

IUPAC4-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide
SMILESCCN(CC)c1cc(Nc2ccc(S(N)(=O)=O)cc2)n2ncnc2n1
InChIInChI=1S/C15H19N7O2S/c1-3-21(4-2)13-9-14(22-15(20-13)17-10-18-22)19-11-5-7-12(8-6-11)25(16,23)24/h5-10,19H,3-4H2,1-2H3,(H2,16,23,24)
InChIKeyQZYYANMOAVILCF-UHFFFAOYSA-N
MW361.43 g/mol
LogP1.36
Rot. Bonds6

About 4-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide

4-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide (PubChem CID 23645577) has the molecular formula C15H19N7O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 4-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide
PubChem CID23645577
Molecular FormulaC15H19N7O2S
Molecular Weight361.43 g/mol
Exact Mass361.13
IUPAC Name4-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide
SMILESCCN(CC)c1cc(Nc2ccc(S(N)(=O)=O)cc2)n2ncnc2n1
InChIInChI=1S/C15H19N7O2S/c1-3-21(4-2)13-9-14(22-15(20-13)17-10-18-22)19-11-5-7-12(8-6-11)25(16,23)24/h5-10,19H,3-4H2,1-2H3,(H2,16,23,24)
InChIKeyQZYYANMOAVILCF-UHFFFAOYSA-N
XLogP1.36
TPSA118.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide (CID 23645577) is 4-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide is CCN(CC)c1cc(Nc2ccc(S(N)(=O)=O)cc2)n2ncnc2n1.
What is the InChIKey of 4-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide?
The InChIKey is QZYYANMOAVILCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O2S/c1-3-21(4-2)13-9-14(22-15(20-13)17-10-18-22)19-11-5-7-12(8-6-11)25(16,23)24/h5-10,19H,3-4H2,1-2H3,(H2,16,23,24).
What are the key properties of 4-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide?
4-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide has a molecular weight of 361.43 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide is sourced from PubChem (CID 23645577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).