N-(2-aminoethyl)-3,5-bis(2H-triazol-4-yl)benzamide

C13H14N8O — CID 163216327

IUPACN-(2-aminoethyl)-3,5-bis(2H-triazol-4-yl)benzamide
SMILESNCCNC(=O)c1cc(-c2cn[nH]n2)cc(-c2cn[nH]n2)c1
InChIInChI=1S/C13H14N8O/c14-1-2-15-13(22)10-4-8(11-6-16-20-18-11)3-9(5-10)12-7-17-21-19-12/h3-7H,1-2,14H2,(H,15,22)(H,16,18,20)(H,17,19,21)
InChIKeyXSPQKIWIPODVKR-UHFFFAOYSA-N
MW298.31 g/mol
LogP-0.05
Rot. Bonds5

About N-(2-aminoethyl)-3,5-bis(2H-triazol-4-yl)benzamide

N-(2-aminoethyl)-3,5-bis(2H-triazol-4-yl)benzamide (PubChem CID 163216327) has the molecular formula C13H14N8O and a molecular weight of 298.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,5-bis(2H-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,5-bis(2H-triazol-4-yl)benzamide
PubChem CID163216327
Molecular FormulaC13H14N8O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC NameN-(2-aminoethyl)-3,5-bis(2H-triazol-4-yl)benzamide
SMILESNCCNC(=O)c1cc(-c2cn[nH]n2)cc(-c2cn[nH]n2)c1
InChIInChI=1S/C13H14N8O/c14-1-2-15-13(22)10-4-8(11-6-16-20-18-11)3-9(5-10)12-7-17-21-19-12/h3-7H,1-2,14H2,(H,15,22)(H,16,18,20)(H,17,19,21)
InChIKeyXSPQKIWIPODVKR-UHFFFAOYSA-N
XLogP-0.05
TPSA138.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-(2-aminoethyl)-3,5-bis(2H-triazol-4-yl)benzamide 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

1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide
CID 23569595
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
N-(2-aminoethyl)-3,5-dibromobenzamide
CID 107971787
1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
1-[5-(2H-triazol-4-yl)-3-pyridinyl]ethanone
CID 171794490
[3-(2H-triazol-4-yl)phenyl]carbamic acid
CID 69051190
5-amino-N-(2-aminoethyl)-1H-pyrazole-4-carboxamide
CID 110484096
N-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide
CID 130550689
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
3,5-dinitro-N-[2-(2H-triazol-4-yl)ethyl]benzamide
CID 88839893
3-(2-aminoethoxy)-4-methyl-N-[2-(2H-triazol-4-yl)ethyl]benzamide
CID 118794228
N-(6-aminohexyl)-1H-pyrazole-4-carboxamide
CID 107843778

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,5-bis(2H-triazol-4-yl)benzamide?
The IUPAC name of N-(2-aminoethyl)-3,5-bis(2H-triazol-4-yl)benzamide (CID 163216327) is N-(2-aminoethyl)-3,5-bis(2H-triazol-4-yl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-3,5-bis(2H-triazol-4-yl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-3,5-bis(2H-triazol-4-yl)benzamide is NCCNC(=O)c1cc(-c2cn[nH]n2)cc(-c2cn[nH]n2)c1.
What is the InChIKey of N-(2-aminoethyl)-3,5-bis(2H-triazol-4-yl)benzamide?
The InChIKey is XSPQKIWIPODVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8O/c14-1-2-15-13(22)10-4-8(11-6-16-20-18-11)3-9(5-10)12-7-17-21-19-12/h3-7H,1-2,14H2,(H,15,22)(H,16,18,20)(H,17,19,21).
What are the key properties of N-(2-aminoethyl)-3,5-bis(2H-triazol-4-yl)benzamide?
N-(2-aminoethyl)-3,5-bis(2H-triazol-4-yl)benzamide has a molecular weight of 298.31 g/mol, XLogP of -0.05, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,5-bis(2H-triazol-4-yl)benzamide is sourced from PubChem (CID 163216327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).