1-[3-(2H-tetrazol-5-ylmethylamino)phenyl]ethanone

C10H11N5O — CID 83705193

IUPAC1-[3-(2H-tetrazol-5-ylmethylamino)phenyl]ethanone
SMILESCC(=O)c1cccc(NCc2nn[nH]n2)c1
InChIInChI=1S/C10H11N5O/c1-7(16)8-3-2-4-9(5-8)11-6-10-12-14-15-13-10/h2-5,11H,6H2,1H3,(H,12,13,14,15)
InChIKeySEGIFMBRXACCBG-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.01
Rot. Bonds4

About 1-[3-(2H-tetrazol-5-ylmethylamino)phenyl]ethanone

1-[3-(2H-tetrazol-5-ylmethylamino)phenyl]ethanone (PubChem CID 83705193) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-[3-(2H-tetrazol-5-ylmethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2H-tetrazol-5-ylmethylamino)phenyl]ethanone
PubChem CID83705193
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name1-[3-(2H-tetrazol-5-ylmethylamino)phenyl]ethanone
SMILESCC(=O)c1cccc(NCc2nn[nH]n2)c1
InChIInChI=1S/C10H11N5O/c1-7(16)8-3-2-4-9(5-8)11-6-10-12-14-15-13-10/h2-5,11H,6H2,1H3,(H,12,13,14,15)
InChIKeySEGIFMBRXACCBG-UHFFFAOYSA-N
XLogP1.01
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-(2H-tetrazol-5-ylmethylamino)phenyl]ethanone 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-[3-(1H-imidazol-5-ylmethylamino)phenyl]ethanone
CID 117003485
1-[3-(2-methylprop-2-enylamino)phenyl]ethanone
CID 82096283
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520
1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone
CID 84682465
N-(2H-tetrazol-5-ylmethyl)benzamide
CID 23176761
1-[3-(2-fluoropropylamino)phenyl]ethanone
CID 84666212
1-[3-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylamino]phenyl]ethanone
CID 15990135
1-[3-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 110653580
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide
CID 81484636
N-methyl-3-(pyridin-4-ylmethylamino)benzamide
CID 28650269
1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 110652203

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2H-tetrazol-5-ylmethylamino)phenyl]ethanone?
The IUPAC name of 1-[3-(2H-tetrazol-5-ylmethylamino)phenyl]ethanone (CID 83705193) is 1-[3-(2H-tetrazol-5-ylmethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[3-(2H-tetrazol-5-ylmethylamino)phenyl]ethanone?
The canonical SMILES for 1-[3-(2H-tetrazol-5-ylmethylamino)phenyl]ethanone is CC(=O)c1cccc(NCc2nn[nH]n2)c1.
What is the InChIKey of 1-[3-(2H-tetrazol-5-ylmethylamino)phenyl]ethanone?
The InChIKey is SEGIFMBRXACCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-7(16)8-3-2-4-9(5-8)11-6-10-12-14-15-13-10/h2-5,11H,6H2,1H3,(H,12,13,14,15).
What are the key properties of 1-[3-(2H-tetrazol-5-ylmethylamino)phenyl]ethanone?
1-[3-(2H-tetrazol-5-ylmethylamino)phenyl]ethanone has a molecular weight of 217.23 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2H-tetrazol-5-ylmethylamino)phenyl]ethanone is sourced from PubChem (CID 83705193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).