N,N',2-trihydroxybenzenecarboximidamide

C7H8N2O3 — CID 142742608

IUPACN,N',2-trihydroxybenzenecarboximidamide
SMILESON=C(NO)c1ccccc1O
InChIInChI=1S/C7H8N2O3/c10-6-4-2-1-3-5(6)7(8-11)9-12/h1-4,10-12H,(H,8,9)
InChIKeyJAZUCZVJDFJQPH-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.51
Rot. Bonds1

About N,N',2-trihydroxybenzenecarboximidamide

N,N',2-trihydroxybenzenecarboximidamide (PubChem CID 142742608) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is N,N',2-trihydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN,N',2-trihydroxybenzenecarboximidamide
PubChem CID142742608
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC NameN,N',2-trihydroxybenzenecarboximidamide
SMILESON=C(NO)c1ccccc1O
InChIInChI=1S/C7H8N2O3/c10-6-4-2-1-3-5(6)7(8-11)9-12/h1-4,10-12H,(H,8,9)
InChIKeyJAZUCZVJDFJQPH-UHFFFAOYSA-N
XLogP0.51
TPSA85.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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',2-dihydroxybenzenecarboximidamide
CID 4227476
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135410018
ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 136640862
N,2-dihydroxybenzamide;ethane
CID 91440405
2-hydroxyimino-2-(2-hydroxyphenyl)acetic acid
CID 137194840
2-[C-(bromomethyl)-N-hydroxycarbonimidoyl]phenol
CID 5154679
2-hydroxybenzoic acid;nitrous acid
CID 157117402
2-(N-hydroxy-C-propylcarbonimidoyl)phenol
CID 577235
2-[C-(2-hydroxyphenyl)carbonohydrazonoyl]phenol
CID 135603489
2-[(Z)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 136755547
(3Z)-4,4,4-trifluoro-3-hydroxyimino-1-(2-hydroxyphenyl)butan-1-one
CID 118239308
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844

Frequently Asked Questions

What is the IUPAC name of N,N',2-trihydroxybenzenecarboximidamide?
The IUPAC name of N,N',2-trihydroxybenzenecarboximidamide (CID 142742608) is N,N',2-trihydroxybenzenecarboximidamide.
What is the SMILES notation for N,N',2-trihydroxybenzenecarboximidamide?
The canonical SMILES for N,N',2-trihydroxybenzenecarboximidamide is ON=C(NO)c1ccccc1O.
What is the InChIKey of N,N',2-trihydroxybenzenecarboximidamide?
The InChIKey is JAZUCZVJDFJQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-6-4-2-1-3-5(6)7(8-11)9-12/h1-4,10-12H,(H,8,9).
What are the key properties of N,N',2-trihydroxybenzenecarboximidamide?
N,N',2-trihydroxybenzenecarboximidamide has a molecular weight of 168.15 g/mol, XLogP of 0.51, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trihydroxybenzenecarboximidamide is sourced from PubChem (CID 142742608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).