3-amino-N-methyl-4-[1-(2H-tetrazol-5-yl)ethylamino]benzamide

C11H15N7O — CID 82989343

IUPAC3-amino-N-methyl-4-[1-(2H-tetrazol-5-yl)ethylamino]benzamide
SMILESCNC(=O)c1ccc(NC(C)c2nn[nH]n2)c(N)c1
InChIInChI=1S/C11H15N7O/c1-6(10-15-17-18-16-10)14-9-4-3-7(5-8(9)12)11(19)13-2/h3-6,14H,12H2,1-2H3,(H,13,19)(H,15,16,17,18)
InChIKeyZWAQZXBCWYNSSY-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.31
Rot. Bonds4

About 3-amino-N-methyl-4-[1-(2H-tetrazol-5-yl)ethylamino]benzamide

3-amino-N-methyl-4-[1-(2H-tetrazol-5-yl)ethylamino]benzamide (PubChem CID 82989343) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-amino-N-methyl-4-[1-(2H-tetrazol-5-yl)ethylamino]benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-[1-(2H-tetrazol-5-yl)ethylamino]benzamide
PubChem CID82989343
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name3-amino-N-methyl-4-[1-(2H-tetrazol-5-yl)ethylamino]benzamide
SMILESCNC(=O)c1ccc(NC(C)c2nn[nH]n2)c(N)c1
InChIInChI=1S/C11H15N7O/c1-6(10-15-17-18-16-10)14-9-4-3-7(5-8(9)12)11(19)13-2/h3-6,14H,12H2,1-2H3,(H,13,19)(H,15,16,17,18)
InChIKeyZWAQZXBCWYNSSY-UHFFFAOYSA-N
XLogP0.31
TPSA121.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-amino-N-methyl-4-[1-(2H-tetrazol-5-yl)ethylamino]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

3-amino-N-methyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzamide
CID 106281246
3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide
CID 82991478
3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 82989269
3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 82988367
3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide
CID 82989046
3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 82988580
3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide
CID 82991950
4-amino-3-[1-(2H-tetrazol-5-yl)ethylamino]benzenesulfonamide
CID 82907095
4-hydrazinyl-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62247833
3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide
CID 82989134
3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide
CID 93050367
3-amino-4-(1-phenylethylamino)benzamide
CID 43448333

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-[1-(2H-tetrazol-5-yl)ethylamino]benzamide?
The IUPAC name of 3-amino-N-methyl-4-[1-(2H-tetrazol-5-yl)ethylamino]benzamide (CID 82989343) is 3-amino-N-methyl-4-[1-(2H-tetrazol-5-yl)ethylamino]benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-[1-(2H-tetrazol-5-yl)ethylamino]benzamide?
The canonical SMILES for 3-amino-N-methyl-4-[1-(2H-tetrazol-5-yl)ethylamino]benzamide is CNC(=O)c1ccc(NC(C)c2nn[nH]n2)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-[1-(2H-tetrazol-5-yl)ethylamino]benzamide?
The InChIKey is ZWAQZXBCWYNSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c1-6(10-15-17-18-16-10)14-9-4-3-7(5-8(9)12)11(19)13-2/h3-6,14H,12H2,1-2H3,(H,13,19)(H,15,16,17,18).
What are the key properties of 3-amino-N-methyl-4-[1-(2H-tetrazol-5-yl)ethylamino]benzamide?
3-amino-N-methyl-4-[1-(2H-tetrazol-5-yl)ethylamino]benzamide has a molecular weight of 261.29 g/mol, XLogP of 0.31, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-[1-(2H-tetrazol-5-yl)ethylamino]benzamide is sourced from PubChem (CID 82989343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).