N'-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]methanimidamide;hydrochloride

C7H17ClN4O5 — CID 22302530

IUPACN'-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]methanimidamide;hydrochloride
SMILESCl.N/C=N\NNC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C7H16N4O5.ClH/c8-2-9-11-10-7-6(15)5(14)4(13)3(1-12)16-7;/h2-7,10-15H,1H2,(H2,8,9);1H
InChIKeyIRNFDXJEZDGHSC-UHFFFAOYSA-N
MW272.69 g/mol
LogP-3.80
Rot. Bonds4

About N'-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]methanimidamide;hydrochloride

N'-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]methanimidamide;hydrochloride (PubChem CID 22302530) has the molecular formula C7H17ClN4O5 and a molecular weight of 272.69 g/mol. Its IUPAC name is N'-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]methanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]methanimidamide;hydrochloride
PubChem CID22302530
Molecular FormulaC7H17ClN4O5
Molecular Weight272.69 g/mol
Exact Mass272.09
IUPAC NameN'-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]methanimidamide;hydrochloride
SMILESCl.N/C=N\NNC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C7H16N4O5.ClH/c8-2-9-11-10-7-6(15)5(14)4(13)3(1-12)16-7;/h2-7,10-15H,1H2,(H2,8,9);1H
InChIKeyIRNFDXJEZDGHSC-UHFFFAOYSA-N
XLogP-3.80
TPSA152.59 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.69
LogP ≤ 5-3.80
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]guanidine
CID 3837727
6-oxo-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]hexanoic acid
CID 69245387
1-methyl-3-[[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]thiourea
CID 124909209
2-oxo-2-[2-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]acetamide
CID 7348661
2-(hydroxymethyl)-6-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol
CID 85428971
2-(4-aminoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89146864
2-azido-N'-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetohydrazide
CID 132933564
[(3S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiourea
CID 3035110
(2S,3S,4S,5S,6R)-2-[[(2S,3S,4R,5S,6R)-6-(aminomethyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70695223
4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]benzenesulfonamide
CID 23424116
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165

Frequently Asked Questions

What is the IUPAC name of N'-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]methanimidamide;hydrochloride?
The IUPAC name of N'-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]methanimidamide;hydrochloride (CID 22302530) is N'-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]methanimidamide;hydrochloride.
What is the SMILES notation for N'-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]methanimidamide;hydrochloride?
The canonical SMILES for N'-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]methanimidamide;hydrochloride is Cl.N/C=N\NNC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of N'-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]methanimidamide;hydrochloride?
The InChIKey is IRNFDXJEZDGHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O5.ClH/c8-2-9-11-10-7-6(15)5(14)4(13)3(1-12)16-7;/h2-7,10-15H,1H2,(H2,8,9);1H.
What are the key properties of N'-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]methanimidamide;hydrochloride?
N'-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]methanimidamide;hydrochloride has a molecular weight of 272.69 g/mol, XLogP of -3.80, 4 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]methanimidamide;hydrochloride is sourced from PubChem (CID 22302530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).