benzene-1,2-diamine;benzene-1,3,5-tricarboxamide

C15H17N5O3 — CID 67830844

IUPACbenzene-1,2-diamine;benzene-1,3,5-tricarboxamide
SMILESNC(=O)c1cc(C(N)=O)cc(C(N)=O)c1.Nc1ccccc1N
InChIInChI=1S/C9H9N3O3.C6H8N2/c10-7(13)4-1-5(8(11)14)3-6(2-4)9(12)15;7-5-3-1-2-4-6(5)8/h1-3H,(H2,10,13)(H2,11,14)(H2,12,15);1-4H,7-8H2
InChIKeyCUFZBIBECVKAHD-UHFFFAOYSA-N
MW315.33 g/mol
LogP-0.17
Rot. Bonds3

About benzene-1,2-diamine;benzene-1,3,5-tricarboxamide

benzene-1,2-diamine;benzene-1,3,5-tricarboxamide (PubChem CID 67830844) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is benzene-1,2-diamine;benzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Namebenzene-1,2-diamine;benzene-1,3,5-tricarboxamide
PubChem CID67830844
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Namebenzene-1,2-diamine;benzene-1,3,5-tricarboxamide
SMILESNC(=O)c1cc(C(N)=O)cc(C(N)=O)c1.Nc1ccccc1N
InChIInChI=1S/C9H9N3O3.C6H8N2/c10-7(13)4-1-5(8(11)14)3-6(2-4)9(12)15;7-5-3-1-2-4-6(5)8/h1-3H,(H2,10,13)(H2,11,14)(H2,12,15);1-4H,7-8H2
InChIKeyCUFZBIBECVKAHD-UHFFFAOYSA-N
XLogP-0.17
TPSA181.31 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze benzene-1,2-diamine;benzene-1,3,5-tricarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

benzene-1,2-diamine;carbonic acid
CID 22256139
2-methylaniline;naphthalene-2-carboxamide
CID 67824326
benzamide;hydron
CID 68819060
CID 67738089
CID 67738089
4-amino-3-(2-phenoxyethoxy)benzamide
CID 63356795
bis(2-aminobenzamide);platinum(2+)
CID 50912239
benzene-1,2-diamine;2-carbamoylbenzoic acid
CID 175046115
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
benzamide;ethene
CID 143479548
pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene-4-carboxamide
CID 2826750
tetracene-2-carboxamide;hydrobromide
CID 22400124
3-amino-4-ethylbenzamide
CID 19977641

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;benzene-1,3,5-tricarboxamide?
The IUPAC name of benzene-1,2-diamine;benzene-1,3,5-tricarboxamide (CID 67830844) is benzene-1,2-diamine;benzene-1,3,5-tricarboxamide.
What is the SMILES notation for benzene-1,2-diamine;benzene-1,3,5-tricarboxamide?
The canonical SMILES for benzene-1,2-diamine;benzene-1,3,5-tricarboxamide is NC(=O)c1cc(C(N)=O)cc(C(N)=O)c1.Nc1ccccc1N.
What is the InChIKey of benzene-1,2-diamine;benzene-1,3,5-tricarboxamide?
The InChIKey is CUFZBIBECVKAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3.C6H8N2/c10-7(13)4-1-5(8(11)14)3-6(2-4)9(12)15;7-5-3-1-2-4-6(5)8/h1-3H,(H2,10,13)(H2,11,14)(H2,12,15);1-4H,7-8H2.
What are the key properties of benzene-1,2-diamine;benzene-1,3,5-tricarboxamide?
benzene-1,2-diamine;benzene-1,3,5-tricarboxamide has a molecular weight of 315.33 g/mol, XLogP of -0.17, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diamine;benzene-1,3,5-tricarboxamide is sourced from PubChem (CID 67830844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).