2-[2-[hydroxy(oxido)amino]-4-methylphenyl]guanidine

C8H11N4O2- — CID 163173729

IUPAC2-[2-[hydroxy(oxido)amino]-4-methylphenyl]guanidine
SMILESCc1ccc(N=C(N)N)c(N([O-])O)c1
InChIInChI=1S/C8H11N4O2/c1-5-2-3-6(11-8(9)10)7(4-5)12(13)14/h2-4,13H,1H3,(H4,9,10,11)/q-1
InChIKeyAADVYGRGJRAIOI-UHFFFAOYSA-N
MW195.20 g/mol
LogP0.59
Rot. Bonds2

About 2-[2-[hydroxy(oxido)amino]-4-methylphenyl]guanidine

2-[2-[hydroxy(oxido)amino]-4-methylphenyl]guanidine (PubChem CID 163173729) has the molecular formula C8H11N4O2- and a molecular weight of 195.20 g/mol. Its IUPAC name is 2-[2-[hydroxy(oxido)amino]-4-methylphenyl]guanidine.

Molecular Properties

Compound Name2-[2-[hydroxy(oxido)amino]-4-methylphenyl]guanidine
PubChem CID163173729
Molecular FormulaC8H11N4O2-
Molecular Weight195.20 g/mol
Exact Mass195.09
IUPAC Name2-[2-[hydroxy(oxido)amino]-4-methylphenyl]guanidine
SMILESCc1ccc(N=C(N)N)c(N([O-])O)c1
InChIInChI=1S/C8H11N4O2/c1-5-2-3-6(11-8(9)10)7(4-5)12(13)14/h2-4,13H,1H3,(H4,9,10,11)/q-1
InChIKeyAADVYGRGJRAIOI-UHFFFAOYSA-N
XLogP0.59
TPSA110.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 50.59
H-Bond Donors ≤ 53
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'}

Analyze 2-[2-[hydroxy(oxido)amino]-4-methylphenyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[hydroxy(oxido)amino]-4-methylphenyl]guanidine?
The IUPAC name of 2-[2-[hydroxy(oxido)amino]-4-methylphenyl]guanidine (CID 163173729) is 2-[2-[hydroxy(oxido)amino]-4-methylphenyl]guanidine.
What is the SMILES notation for 2-[2-[hydroxy(oxido)amino]-4-methylphenyl]guanidine?
The canonical SMILES for 2-[2-[hydroxy(oxido)amino]-4-methylphenyl]guanidine is Cc1ccc(N=C(N)N)c(N([O-])O)c1.
What is the InChIKey of 2-[2-[hydroxy(oxido)amino]-4-methylphenyl]guanidine?
The InChIKey is AADVYGRGJRAIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N4O2/c1-5-2-3-6(11-8(9)10)7(4-5)12(13)14/h2-4,13H,1H3,(H4,9,10,11)/q-1.
What are the key properties of 2-[2-[hydroxy(oxido)amino]-4-methylphenyl]guanidine?
2-[2-[hydroxy(oxido)amino]-4-methylphenyl]guanidine has a molecular weight of 195.20 g/mol, XLogP of 0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[hydroxy(oxido)amino]-4-methylphenyl]guanidine is sourced from PubChem (CID 163173729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).