1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine

C9H12N4O — CID 172962285

IUPAC1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine
SMILESCc1ccccc1/C=N/N=C(N)NO
InChIInChI=1S/C9H12N4O/c1-7-4-2-3-5-8(7)6-11-12-9(10)13-14/h2-6,14H,1H3,(H3,10,12,13)/b11-6+
InChIKeyMXJUMZNMUYYRIW-IZZDOVSWSA-N
MW192.22 g/mol
LogP0.62
Rot. Bonds2

About 1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine

1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine (PubChem CID 172962285) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine
PubChem CID172962285
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine
SMILESCc1ccccc1/C=N/N=C(N)NO
InChIInChI=1S/C9H12N4O/c1-7-4-2-3-5-8(7)6-11-12-9(10)13-14/h2-6,14H,1H3,(H3,10,12,13)/b11-6+
InChIKeyMXJUMZNMUYYRIW-IZZDOVSWSA-N
XLogP0.62
TPSA83.00 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 ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1,2-bis[(E)-(2-methylphenyl)methylideneamino]guanidine
CID 118931056
1-hydroxy-2-[(2-hydroxyphenyl)methylideneamino]guanidine
CID 142114039
2-[(2-fluorophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 85078649
2-[(E)-[[amino-(hydroxyamino)methylidene]hydrazinylidene]methyl]benzenesulfonic acid
CID 173023985
2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135478768
2-[(E)-(2,3-difluorophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 173024020
1-hydroxy-2-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]guanidine
CID 135503417
2-amino-1-(2-ethylsulfanylethoxy)guanidine;1-(2-ethylsulfanylethoxy)-2-[(E)-(2-methylphenyl)methylideneamino]guanidine;2-methylbenzaldehyde
CID 172984511
2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine
CID 10060509
1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 5494118
2-[(E)-(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 139982870
2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 91185838

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine?
The IUPAC name of 1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine (CID 172962285) is 1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine.
What is the SMILES notation for 1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine?
The canonical SMILES for 1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine is Cc1ccccc1/C=N/N=C(N)NO.
What is the InChIKey of 1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine?
The InChIKey is MXJUMZNMUYYRIW-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H12N4O/c1-7-4-2-3-5-8(7)6-11-12-9(10)13-14/h2-6,14H,1H3,(H3,10,12,13)/b11-6+.
What are the key properties of 1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine?
1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine has a molecular weight of 192.22 g/mol, XLogP of 0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 172962285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).