2,3,5-triamino-6-methylbenzene-1,4-diol

C7H11N3O2 — CID 163832497

IUPAC2,3,5-triamino-6-methylbenzene-1,4-diol
SMILESCc1c(N)c(O)c(N)c(N)c1O
InChIInChI=1S/C7H11N3O2/c1-2-3(8)7(12)5(10)4(9)6(2)11/h11-12H,8-10H2,1H3
InChIKeyOEVWVYDEPIVZJY-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.15
Rot. Bonds

About 2,3,5-triamino-6-methylbenzene-1,4-diol

2,3,5-triamino-6-methylbenzene-1,4-diol (PubChem CID 163832497) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2,3,5-triamino-6-methylbenzene-1,4-diol.

Molecular Properties

Compound Name2,3,5-triamino-6-methylbenzene-1,4-diol
PubChem CID163832497
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2,3,5-triamino-6-methylbenzene-1,4-diol
SMILESCc1c(N)c(O)c(N)c(N)c1O
InChIInChI=1S/C7H11N3O2/c1-2-3(8)7(12)5(10)4(9)6(2)11/h11-12H,8-10H2,1H3
InChIKeyOEVWVYDEPIVZJY-UHFFFAOYSA-N
XLogP0.15
TPSA118.52 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(3-hydroxy-4-methoxy-2,5,6-trimethylphenyl)-3,5,6-trimethylphenol
CID 90747803
2-amino-6-chloro-3,4-dimethylphenol
CID 45120159
2-amino-3-hydroxy-4,5,6-trimethylbenzaldehyde
CID 58512865
2-amino-3-chloro-5-methoxy-4,6-dimethylphenol
CID 84670347
6-aminobenzene-1,2,3,4,5-pentol
CID 130443728
2-amino-4-[(3-amino-5-ethyl-4-hydroxy-2-methylphenyl)methyl]-6-ethyl-3-methylphenol
CID 59194641
2-amino-4-[2-(3-amino-4-hydroxy-2,5-dimethylphenyl)hexan-2-yl]-3,6-dimethylphenol
CID 59194636
2,3,4,5,6-pentamethylaniline;hydrochloride
CID 139747221
2-hydroxy-3-methylcycloprop-2-en-1-one
CID 59349696
3-amino-2-hydroxy-N,N,4,5-tetramethylbenzamide
CID 130018685
2-amino-4-[[3-amino-4-hydroxy-2-methyl-5-(2-methylpropyl)phenyl]methyl]-3-methyl-6-(2-methylpropyl)phenol
CID 59194624
5,6-dimethyl-3-phosphanylbenzene-1,2,4-triamine
CID 163738273

Frequently Asked Questions

What is the IUPAC name of 2,3,5-triamino-6-methylbenzene-1,4-diol?
The IUPAC name of 2,3,5-triamino-6-methylbenzene-1,4-diol (CID 163832497) is 2,3,5-triamino-6-methylbenzene-1,4-diol.
What is the SMILES notation for 2,3,5-triamino-6-methylbenzene-1,4-diol?
The canonical SMILES for 2,3,5-triamino-6-methylbenzene-1,4-diol is Cc1c(N)c(O)c(N)c(N)c1O.
What is the InChIKey of 2,3,5-triamino-6-methylbenzene-1,4-diol?
The InChIKey is OEVWVYDEPIVZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-3(8)7(12)5(10)4(9)6(2)11/h11-12H,8-10H2,1H3.
What are the key properties of 2,3,5-triamino-6-methylbenzene-1,4-diol?
2,3,5-triamino-6-methylbenzene-1,4-diol has a molecular weight of 169.18 g/mol, XLogP of 0.15, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triamino-6-methylbenzene-1,4-diol is sourced from PubChem (CID 163832497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).