2,3,5-triaminobenzoic acid

C7H9N3O2 — CID 18407375

IUPAC2,3,5-triaminobenzoic acid
SMILESNc1cc(N)c(N)c(C(=O)O)c1
InChIInChI=1S/C7H9N3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,8-10H2,(H,11,12)
InChIKeyGZGKVTXSCNPTPE-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.13
Rot. Bonds1

About 2,3,5-triaminobenzoic acid

2,3,5-triaminobenzoic acid (PubChem CID 18407375) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 2,3,5-triaminobenzoic acid.

Molecular Properties

Compound Name2,3,5-triaminobenzoic acid
PubChem CID18407375
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name2,3,5-triaminobenzoic acid
SMILESNc1cc(N)c(N)c(C(=O)O)c1
InChIInChI=1S/C7H9N3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,8-10H2,(H,11,12)
InChIKeyGZGKVTXSCNPTPE-UHFFFAOYSA-N
XLogP0.13
TPSA115.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3,5-triaminophenyl)acetic acid
CID 66873284
3,5-diamino-2-ethoxybenzoic acid
CID 69167951
5-amino-2,3-diiodobenzoic acid
CID 131091000
2-amino-5-(4-amino-3,5-dicarboxyphenyl)sulfanylbenzene-1,3-dicarboxylic acid
CID 141253974
5-amino-2-chloro-3-iodobenzoic acid
CID 131288926
3,5-diamino-2-[2-(2-methylprop-2-enoyloxy)ethyl]benzoic acid
CID 18401311
bis(5-amino-2-(4-amino-2-carboxyphenyl)benzoic acid);hydrate
CID 174768494
2-amino-4,5-diiodobenzoic acid
CID 20534143
3,5-diamino-2-[2-(2-methylprop-2-enoxy)ethyl]benzoic acid
CID 70100505
2-amino-3,4,5-trimethylbenzoic acid
CID 22633906
2-amino-5-methoxybenzene-1,3-dicarboxylic acid
CID 66762655
(5-amino-2-carboxyphenyl)mercury
CID 3029231

Frequently Asked Questions

What is the IUPAC name of 2,3,5-triaminobenzoic acid?
The IUPAC name of 2,3,5-triaminobenzoic acid (CID 18407375) is 2,3,5-triaminobenzoic acid.
What is the SMILES notation for 2,3,5-triaminobenzoic acid?
The canonical SMILES for 2,3,5-triaminobenzoic acid is Nc1cc(N)c(N)c(C(=O)O)c1.
What is the InChIKey of 2,3,5-triaminobenzoic acid?
The InChIKey is GZGKVTXSCNPTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,8-10H2,(H,11,12).
What are the key properties of 2,3,5-triaminobenzoic acid?
2,3,5-triaminobenzoic acid has a molecular weight of 167.17 g/mol, XLogP of 0.13, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triaminobenzoic acid is sourced from PubChem (CID 18407375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).