4-[2-[[5-(butan-2-ylamino)-1,2,4-triazin-3-yl]amino]ethyl]benzenesulfonamide

C15H22N6O2S — CID 112940702

IUPAC4-[2-[[5-(butan-2-ylamino)-1,2,4-triazin-3-yl]amino]ethyl]benzenesulfonamide
SMILESCCC(C)Nc1cnnc(NCCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C15H22N6O2S/c1-3-11(2)19-14-10-18-21-15(20-14)17-9-8-12-4-6-13(7-5-12)24(16,22)23/h4-7,10-11H,3,8-9H2,1-2H3,(H2,16,22,23)(H2,17,19,20,21)
InChIKeyUGMZPUCLOFLDDC-UHFFFAOYSA-N
MW350.45 g/mol
LogP1.38
Rot. Bonds8

About 4-[2-[[5-(butan-2-ylamino)-1,2,4-triazin-3-yl]amino]ethyl]benzenesulfonamide

4-[2-[[5-(butan-2-ylamino)-1,2,4-triazin-3-yl]amino]ethyl]benzenesulfonamide (PubChem CID 112940702) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is 4-[2-[[5-(butan-2-ylamino)-1,2,4-triazin-3-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[5-(butan-2-ylamino)-1,2,4-triazin-3-yl]amino]ethyl]benzenesulfonamide
PubChem CID112940702
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name4-[2-[[5-(butan-2-ylamino)-1,2,4-triazin-3-yl]amino]ethyl]benzenesulfonamide
SMILESCCC(C)Nc1cnnc(NCCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C15H22N6O2S/c1-3-11(2)19-14-10-18-21-15(20-14)17-9-8-12-4-6-13(7-5-12)24(16,22)23/h4-7,10-11H,3,8-9H2,1-2H3,(H2,16,22,23)(H2,17,19,20,21)
InChIKeyUGMZPUCLOFLDDC-UHFFFAOYSA-N
XLogP1.38
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[2-[[5-(butan-2-ylamino)-1,2,4-triazin-3-yl]amino]ethyl]benzenesulfonamide with MolForge

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Related Compounds

4-[2-[[5-(3,4-dimethylanilino)-1,2,4-triazin-3-yl]amino]ethyl]benzenesulfonamide
CID 112955972
3-N-(2-phenylethyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938729
4-[2-[[3-(azepan-1-yl)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide
CID 112955931
3-N-butan-2-yl-5-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112940896
4-[2-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide
CID 112955946
4-[2-[[4-(butylamino)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 112882844
4-[2-[[2-(butylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112883036
N-butan-2-yl-2-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109362549
4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112883509
4-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112855301
N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 108993382
4-N-butan-2-yl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112883512

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-(butan-2-ylamino)-1,2,4-triazin-3-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[5-(butan-2-ylamino)-1,2,4-triazin-3-yl]amino]ethyl]benzenesulfonamide (CID 112940702) is 4-[2-[[5-(butan-2-ylamino)-1,2,4-triazin-3-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[5-(butan-2-ylamino)-1,2,4-triazin-3-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[5-(butan-2-ylamino)-1,2,4-triazin-3-yl]amino]ethyl]benzenesulfonamide is CCC(C)Nc1cnnc(NCCc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[2-[[5-(butan-2-ylamino)-1,2,4-triazin-3-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is UGMZPUCLOFLDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-3-11(2)19-14-10-18-21-15(20-14)17-9-8-12-4-6-13(7-5-12)24(16,22)23/h4-7,10-11H,3,8-9H2,1-2H3,(H2,16,22,23)(H2,17,19,20,21).
What are the key properties of 4-[2-[[5-(butan-2-ylamino)-1,2,4-triazin-3-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[5-(butan-2-ylamino)-1,2,4-triazin-3-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 350.45 g/mol, XLogP of 1.38, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-(butan-2-ylamino)-1,2,4-triazin-3-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 112940702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).