3-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide

C10H20N8O2S — CID 80900517

IUPAC3-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide
SMILESNNc1nc(NCCCS(N)(=O)=O)nc(N2CCCC2)n1
InChIInChI=1S/C10H20N8O2S/c11-17-9-14-8(13-4-3-7-21(12,19)20)15-10(16-9)18-5-1-2-6-18/h1-7,11H2,(H2,12,19,20)(H2,13,14,15,16,17)
InChIKeyYYYBJBLKFLLNQK-UHFFFAOYSA-N
MW316.39 g/mol
LogP-1.15
Rot. Bonds7

About 3-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide

3-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide (PubChem CID 80900517) has the molecular formula C10H20N8O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide
PubChem CID80900517
Molecular FormulaC10H20N8O2S
Molecular Weight316.39 g/mol
Exact Mass316.14
IUPAC Name3-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide
SMILESNNc1nc(NCCCS(N)(=O)=O)nc(N2CCCC2)n1
InChIInChI=1S/C10H20N8O2S/c11-17-9-14-8(13-4-3-7-21(12,19)20)15-10(16-9)18-5-1-2-6-18/h1-7,11H2,(H2,12,19,20)(H2,13,14,15,16,17)
InChIKeyYYYBJBLKFLLNQK-UHFFFAOYSA-N
XLogP-1.15
TPSA152.15 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80942778
2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80773807
5-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107324353
4-hydrazinyl-N-(4-methylpentyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80904327
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
2-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethyl carbamate
CID 83206301
4-hydrazinyl-N-(2-methylsulfonylethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80898859
2-N-(2-methylsulfonylethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80791674
2-N-[4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 139460803
N-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80899003
N,N'-bis[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]ethane-1,2-diamine
CID 15333325
N-butyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80931737

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide (CID 80900517) is 3-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide is NNc1nc(NCCCS(N)(=O)=O)nc(N2CCCC2)n1.
What is the InChIKey of 3-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide?
The InChIKey is YYYBJBLKFLLNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N8O2S/c11-17-9-14-8(13-4-3-7-21(12,19)20)15-10(16-9)18-5-1-2-6-18/h1-7,11H2,(H2,12,19,20)(H2,13,14,15,16,17).
What are the key properties of 3-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide?
3-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide has a molecular weight of 316.39 g/mol, XLogP of -1.15, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 80900517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).