1-(2,4,5-triaminophenyl)ethanone

C8H11N3O — CID 163413679

IUPAC1-(2,4,5-triaminophenyl)ethanone
SMILESCC(=O)c1cc(N)c(N)cc1N
InChIInChI=1S/C8H11N3O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,9-11H2,1H3
InChIKeyACPQICIEVQUMDW-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.64
Rot. Bonds1

About 1-(2,4,5-triaminophenyl)ethanone

1-(2,4,5-triaminophenyl)ethanone (PubChem CID 163413679) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-(2,4,5-triaminophenyl)ethanone.

Molecular Properties

Compound Name1-(2,4,5-triaminophenyl)ethanone
PubChem CID163413679
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-(2,4,5-triaminophenyl)ethanone
SMILESCC(=O)c1cc(N)c(N)cc1N
InChIInChI=1S/C8H11N3O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,9-11H2,1H3
InChIKeyACPQICIEVQUMDW-UHFFFAOYSA-N
XLogP0.64
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
1-[4,5-diamino-2-(methylideneamino)phenyl]ethanone
CID 163440212
1-(2-amino-5-iodo-4-methylphenyl)ethanone
CID 131596572
1-(2-amino-5-fluoro-4-hydroxyphenyl)ethanone
CID 131333607
1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride
CID 71393549
1-[2-amino-4-(difluoromethyl)-5-methylphenyl]ethanone
CID 170996744
1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone
CID 134604009
1-(2-amino-5-tert-butylphenyl)ethanone
CID 83988010
4-acetyl-3-aminobenzamide
CID 171538072
1-[2,4-diamino-5-(2-methylprop-2-enoyl)phenyl]-2-methylprop-2-en-1-one
CID 19760770
1-(2-amino-4-hydroxy-5-nitrophenyl)ethanone
CID 131568255
1-[2-amino-4-(3-aminophenyl)phenyl]ethanone
CID 68790050

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-triaminophenyl)ethanone?
The IUPAC name of 1-(2,4,5-triaminophenyl)ethanone (CID 163413679) is 1-(2,4,5-triaminophenyl)ethanone.
What is the SMILES notation for 1-(2,4,5-triaminophenyl)ethanone?
The canonical SMILES for 1-(2,4,5-triaminophenyl)ethanone is CC(=O)c1cc(N)c(N)cc1N.
What is the InChIKey of 1-(2,4,5-triaminophenyl)ethanone?
The InChIKey is ACPQICIEVQUMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,9-11H2,1H3.
What are the key properties of 1-(2,4,5-triaminophenyl)ethanone?
1-(2,4,5-triaminophenyl)ethanone has a molecular weight of 165.20 g/mol, XLogP of 0.64, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-triaminophenyl)ethanone is sourced from PubChem (CID 163413679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).