N'-hydroxybenzenecarboximidamide;pentahydrate

C7H18N2O6 — CID 174367022

IUPACN'-hydroxybenzenecarboximidamide;pentahydrate
SMILESNC(=NO)c1ccccc1.O.O.O.O.O
InChIInChI=1S/C7H8N2O.5H2O/c8-7(9-10)6-4-2-1-3-5-6;;;;;/h1-5,10H,(H2,8,9);5*1H2
InChIKeyQKJRGKKRQJMZAL-UHFFFAOYSA-N
MW226.23 g/mol
LogP-3.34
Rot. Bonds1

About N'-hydroxybenzenecarboximidamide;pentahydrate

N'-hydroxybenzenecarboximidamide;pentahydrate (PubChem CID 174367022) has the molecular formula C7H18N2O6 and a molecular weight of 226.23 g/mol. Its IUPAC name is N'-hydroxybenzenecarboximidamide;pentahydrate.

Molecular Properties

Compound NameN'-hydroxybenzenecarboximidamide;pentahydrate
PubChem CID174367022
Molecular FormulaC7H18N2O6
Molecular Weight226.23 g/mol
Exact Mass226.12
IUPAC NameN'-hydroxybenzenecarboximidamide;pentahydrate
SMILESNC(=NO)c1ccccc1.O.O.O.O.O
InChIInChI=1S/C7H8N2O.5H2O/c8-7(9-10)6-4-2-1-3-5-6;;;;;/h1-5,10H,(H2,8,9);5*1H2
InChIKeyQKJRGKKRQJMZAL-UHFFFAOYSA-N
XLogP-3.34
TPSA216.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-3.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxybenzenecarboximidamide
CID 142861747
N'-hydroxy-4-tritylbenzenecarboximidamide
CID 174553752
N'-hydroxy-3-phenylbenzenecarboximidamide
CID 6023857
N'-aminobenzenecarboximidamide
CID 5474957
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
N'-cyanobenzenecarboximidamide;hydrochloride
CID 75485318
1-benzyl-N'-hydroxypyridin-1-ium-4-carboximidamide bromide
CID 135882393
4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide
CID 77025269
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 71745689
N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
[amino(phenyl)methylidene]carbamic acid
CID 54409873
ethene;N'-methylbenzenecarboximidamide
CID 142294327

Frequently Asked Questions

What is the IUPAC name of N'-hydroxybenzenecarboximidamide;pentahydrate?
The IUPAC name of N'-hydroxybenzenecarboximidamide;pentahydrate (CID 174367022) is N'-hydroxybenzenecarboximidamide;pentahydrate.
What is the SMILES notation for N'-hydroxybenzenecarboximidamide;pentahydrate?
The canonical SMILES for N'-hydroxybenzenecarboximidamide;pentahydrate is NC(=NO)c1ccccc1.O.O.O.O.O.
What is the InChIKey of N'-hydroxybenzenecarboximidamide;pentahydrate?
The InChIKey is QKJRGKKRQJMZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.5H2O/c8-7(9-10)6-4-2-1-3-5-6;;;;;/h1-5,10H,(H2,8,9);5*1H2.
What are the key properties of N'-hydroxybenzenecarboximidamide;pentahydrate?
N'-hydroxybenzenecarboximidamide;pentahydrate has a molecular weight of 226.23 g/mol, XLogP of -3.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxybenzenecarboximidamide;pentahydrate is sourced from PubChem (CID 174367022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).