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

C11H14N6O — CID 55172421

IUPAC3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide
SMILESCC(NCc1cccc(C(N)=O)c1)c1nn[nH]n1
InChIInChI=1S/C11H14N6O/c1-7(11-14-16-17-15-11)13-6-8-3-2-4-9(5-8)10(12)18/h2-5,7,13H,6H2,1H3,(H2,12,18)(H,14,15,16,17)
InChIKeyUQTODSIWWKMIPT-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.15
Rot. Bonds5

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

3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide (PubChem CID 55172421) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide
PubChem CID55172421
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide
SMILESCC(NCc1cccc(C(N)=O)c1)c1nn[nH]n1
InChIInChI=1S/C11H14N6O/c1-7(11-14-16-17-15-11)13-6-8-3-2-4-9(5-8)10(12)18/h2-5,7,13H,6H2,1H3,(H2,12,18)(H,14,15,16,17)
InChIKeyUQTODSIWWKMIPT-UHFFFAOYSA-N
XLogP0.15
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-[[3-(difluoromethyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 113328734
3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
CID 28564891
3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide
CID 43664738
3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide
CID 43778803
3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide
CID 43664678
3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide
CID 43664706
3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide
CID 43664720
3-[[1-(4-methylsulfanylphenyl)ethylamino]methyl]benzamide
CID 43664717
3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
CID 43664726
ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate
CID 61498569
3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 61476831
3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide
CID 61479913

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide?
The IUPAC name of 3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide (CID 55172421) is 3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide.
What is the SMILES notation for 3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide?
The canonical SMILES for 3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide is CC(NCc1cccc(C(N)=O)c1)c1nn[nH]n1.
What is the InChIKey of 3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide?
The InChIKey is UQTODSIWWKMIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-7(11-14-16-17-15-11)13-6-8-3-2-4-9(5-8)10(12)18/h2-5,7,13H,6H2,1H3,(H2,12,18)(H,14,15,16,17).
What are the key properties of 3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide?
3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide has a molecular weight of 246.27 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide is sourced from PubChem (CID 55172421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).