hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylcyclohexa-1,5-diene-1-carboximidamide

C13H20N6O3S — CID 144893577

IUPAChydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylcyclohexa-1,5-diene-1-carboximidamide
SMILESNN.[H]/N=C(\N)C1=C(c2ccnc(CO)c2)CCC=C1S(N)(=O)=O
InChIInChI=1S/C13H16N4O3S.H4N2/c14-13(15)12-10(2-1-3-11(12)21(16,19)20)8-4-5-17-9(6-8)7-18;1-2/h3-6,18H,1-2,7H2,(H3,14,15)(H2,16,19,20);1-2H2
InChIKeyXHEOGFDSMKAUKL-UHFFFAOYSA-N
MW340.41 g/mol
LogP-0.95
Rot. Bonds4

About hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylcyclohexa-1,5-diene-1-carboximidamide

hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylcyclohexa-1,5-diene-1-carboximidamide (PubChem CID 144893577) has the molecular formula C13H20N6O3S and a molecular weight of 340.41 g/mol. Its IUPAC name is hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylcyclohexa-1,5-diene-1-carboximidamide.

Molecular Properties

Compound Namehydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylcyclohexa-1,5-diene-1-carboximidamide
PubChem CID144893577
Molecular FormulaC13H20N6O3S
Molecular Weight340.41 g/mol
Exact Mass340.13
IUPAC Namehydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylcyclohexa-1,5-diene-1-carboximidamide
SMILESNN.[H]/N=C(\N)C1=C(c2ccnc(CO)c2)CCC=C1S(N)(=O)=O
InChIInChI=1S/C13H16N4O3S.H4N2/c14-13(15)12-10(2-1-3-11(12)21(16,19)20)8-4-5-17-9(6-8)7-18;1-2/h3-6,18H,1-2,7H2,(H3,14,15)(H2,16,19,20);1-2H2
InChIKeyXHEOGFDSMKAUKL-UHFFFAOYSA-N
XLogP-0.95
TPSA195.19 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.41
LogP ≤ 5-0.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-1-hydroxypropyl)-N,4-dimethylpyridine-3-sulfonamide
CID 20741949
N-tert-butyl-2-(2-fluoro-1-hydroxypropyl)-4-methylpyridine-3-sulfonamide
CID 22648736
4-Butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide
CID 174390313
2-(Hydroxymethyl)pyridine-3-carboximidamide
CID 22416551
4-[Hydroxy(pyridin-2-yl)methyl]benzenecarboximidamide
CID 54004083
2-Hydroxy-2-(5-methyl-2-pyridinyl)ethanesulfinamide
CID 57701893
N'-amino-2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylbenzenecarboximidamide
CID 123199347
1-Hydroxy-1-(5-methyl-2-pyridinyl)propane-2-sulfonamide
CID 134541237
(1S,2S)-1-hydroxy-1-(5-methyl-2-pyridinyl)propane-2-sulfonamide
CID 134552287
(1R,2S)-1-hydroxy-1-(5-methyl-2-pyridinyl)propane-2-sulfonamide
CID 134552288
(1R,2R)-1-hydroxy-1-(5-methyl-2-pyridinyl)propane-2-sulfonamide
CID 134552289
(1S,2R)-1-hydroxy-1-(5-methyl-2-pyridinyl)propane-2-sulfonamide
CID 134552290

Frequently Asked Questions

What is the IUPAC name of hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylcyclohexa-1,5-diene-1-carboximidamide?
The IUPAC name of hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylcyclohexa-1,5-diene-1-carboximidamide (CID 144893577) is hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylcyclohexa-1,5-diene-1-carboximidamide.
What is the SMILES notation for hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylcyclohexa-1,5-diene-1-carboximidamide?
The canonical SMILES for hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylcyclohexa-1,5-diene-1-carboximidamide is NN.[H]/N=C(\N)C1=C(c2ccnc(CO)c2)CCC=C1S(N)(=O)=O.
What is the InChIKey of hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylcyclohexa-1,5-diene-1-carboximidamide?
The InChIKey is XHEOGFDSMKAUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S.H4N2/c14-13(15)12-10(2-1-3-11(12)21(16,19)20)8-4-5-17-9(6-8)7-18;1-2/h3-6,18H,1-2,7H2,(H3,14,15)(H2,16,19,20);1-2H2.
What are the key properties of hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylcyclohexa-1,5-diene-1-carboximidamide?
hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylcyclohexa-1,5-diene-1-carboximidamide has a molecular weight of 340.41 g/mol, XLogP of -0.95, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylcyclohexa-1,5-diene-1-carboximidamide is sourced from PubChem (CID 144893577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).