6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide

C9H16N6O3S — CID 106340799

IUPAC6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)c1cncc(NN)n1
InChIInChI=1S/C9H16N6O3S/c1-19(17,18)13-4-2-3-12-9(16)7-5-11-6-8(14-7)15-10/h5-6,13H,2-4,10H2,1H3,(H,12,16)(H,14,15)
InChIKeyUGFNVPSZASMRBB-UHFFFAOYSA-N
MW288.33 g/mol
LogP-1.57
Rot. Bonds7

About 6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide

6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide (PubChem CID 106340799) has the molecular formula C9H16N6O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide
PubChem CID106340799
Molecular FormulaC9H16N6O3S
Molecular Weight288.33 g/mol
Exact Mass288.10
IUPAC Name6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)c1cncc(NN)n1
InChIInChI=1S/C9H16N6O3S/c1-19(17,18)13-4-2-3-12-9(16)7-5-11-6-8(14-7)15-10/h5-6,13H,2-4,10H2,1H3,(H,12,16)(H,14,15)
InChIKeyUGFNVPSZASMRBB-UHFFFAOYSA-N
XLogP-1.57
TPSA139.10 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide?
The IUPAC name of 6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide (CID 106340799) is 6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide is CS(=O)(=O)NCCCNC(=O)c1cncc(NN)n1.
What is the InChIKey of 6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide?
The InChIKey is UGFNVPSZASMRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O3S/c1-19(17,18)13-4-2-3-12-9(16)7-5-11-6-8(14-7)15-10/h5-6,13H,2-4,10H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide?
6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide has a molecular weight of 288.33 g/mol, XLogP of -1.57, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 106340799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).