2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine

C9H12N4O — CID 143815352

IUPAC2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine
SMILESCc1cc(/C=N\N=C(N)N)ccc1O
InChIInChI=1S/C9H12N4O/c1-6-4-7(2-3-8(6)14)5-12-13-9(10)11/h2-5,14H,1H3,(H4,10,11,13)/b12-5-
InChIKeyUBSSBFBRAOSZEH-XGICHPGQSA-N
MW192.22 g/mol
LogP0.31
Rot. Bonds2

About 2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine

2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine (PubChem CID 143815352) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine
PubChem CID143815352
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine
SMILESCc1cc(/C=N\N=C(N)N)ccc1O
InChIInChI=1S/C9H12N4O/c1-6-4-7(2-3-8(6)14)5-12-13-9(10)11/h2-5,14H,1H3,(H4,10,11,13)/b12-5-
InChIKeyUBSSBFBRAOSZEH-XGICHPGQSA-N
XLogP0.31
TPSA96.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(E)-(4-fluoro-3-methylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880621
2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]guanidine
CID 168592367
2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
CID 135460252
2-methyl-4-(methyliminomethyl)phenol
CID 137125843
2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine
CID 44542176
2-[(3-butoxy-4-methylphenyl)methylideneamino]guanidine
CID 168590671
4-[(4-hydroxyphenyl)iminomethyl]-2-methylphenol
CID 156775651
2-[(E)-[8-[(E)-(diaminomethylidenehydrazinylidene)methyl]-10-methylphenothiazin-2-yl]methylideneamino]guanidine
CID 137394769
2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine
CID 168592573
2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine
CID 134136656
2-[(3-bromo-4-fluorophenyl)methylideneamino]guanidine
CID 66841829
2-[(2,6-dimethylphenyl)methylideneamino]guanidine
CID 72725816

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine (CID 143815352) is 2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine is Cc1cc(/C=N\N=C(N)N)ccc1O.
What is the InChIKey of 2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine?
The InChIKey is UBSSBFBRAOSZEH-XGICHPGQSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6-4-7(2-3-8(6)14)5-12-13-9(10)11/h2-5,14H,1H3,(H4,10,11,13)/b12-5-.
What are the key properties of 2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine?
2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine has a molecular weight of 192.22 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 143815352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).