1-hydroxy-2-[(3-hydroxyphenyl)methylideneamino]guanidine

C8H10N4O2 — CID 91318169

IUPAC1-hydroxy-2-[(3-hydroxyphenyl)methylideneamino]guanidine
SMILESNC(=NN=Cc1cccc(O)c1)NO
InChIInChI=1S/C8H10N4O2/c9-8(12-14)11-10-5-6-2-1-3-7(13)4-6/h1-5,13-14H,(H3,9,11,12)
InChIKeyDMDIATHJLPEFSO-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.02
Rot. Bonds2

About 1-hydroxy-2-[(3-hydroxyphenyl)methylideneamino]guanidine

1-hydroxy-2-[(3-hydroxyphenyl)methylideneamino]guanidine (PubChem CID 91318169) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-hydroxy-2-[(3-hydroxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1-hydroxy-2-[(3-hydroxyphenyl)methylideneamino]guanidine
PubChem CID91318169
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name1-hydroxy-2-[(3-hydroxyphenyl)methylideneamino]guanidine
SMILESNC(=NN=Cc1cccc(O)c1)NO
InChIInChI=1S/C8H10N4O2/c9-8(12-14)11-10-5-6-2-1-3-7(13)4-6/h1-5,13-14H,(H3,9,11,12)
InChIKeyDMDIATHJLPEFSO-UHFFFAOYSA-N
XLogP0.02
TPSA103.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.02
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine
CID 3664768
2-[(E)-(4-bromo-3-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 173023981
2-[(E)-(3,4-difluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 173024102
2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine
CID 72952246
2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine
CID 173023950
1-hydroxy-2-[(2-hydroxyphenyl)methylideneamino]guanidine
CID 142114039
2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine
CID 10060509
2-[(E)-(3-bromophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 10113438
2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine;hydrochloride
CID 172915821
1-hydroxy-2-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 171927858
1,2-bis[(E)-(3-methoxyphenyl)methylideneamino]guanidine;hydrochloride
CID 86279917
2-[(E)-(4-fluoro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 10158636

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[(3-hydroxyphenyl)methylideneamino]guanidine?
The IUPAC name of 1-hydroxy-2-[(3-hydroxyphenyl)methylideneamino]guanidine (CID 91318169) is 1-hydroxy-2-[(3-hydroxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 1-hydroxy-2-[(3-hydroxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 1-hydroxy-2-[(3-hydroxyphenyl)methylideneamino]guanidine is NC(=NN=Cc1cccc(O)c1)NO.
What is the InChIKey of 1-hydroxy-2-[(3-hydroxyphenyl)methylideneamino]guanidine?
The InChIKey is DMDIATHJLPEFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c9-8(12-14)11-10-5-6-2-1-3-7(13)4-6/h1-5,13-14H,(H3,9,11,12).
What are the key properties of 1-hydroxy-2-[(3-hydroxyphenyl)methylideneamino]guanidine?
1-hydroxy-2-[(3-hydroxyphenyl)methylideneamino]guanidine has a molecular weight of 194.19 g/mol, XLogP of 0.02, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[(3-hydroxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 91318169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).