2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide

C11H15N7O — CID 63149898

IUPAC2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide
SMILESCn1nnnc1N(CC(N)=O)Cc1ccccc1N
InChIInChI=1S/C11H15N7O/c1-17-11(14-15-16-17)18(7-10(13)19)6-8-4-2-3-5-9(8)12/h2-5H,6-7,12H2,1H3,(H2,13,19)
InChIKeyHXIAFMQXXLALLS-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.72
Rot. Bonds5

About 2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide

2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide (PubChem CID 63149898) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide
PubChem CID63149898
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide
SMILESCn1nnnc1N(CC(N)=O)Cc1ccccc1N
InChIInChI=1S/C11H15N7O/c1-17-11(14-15-16-17)18(7-10(13)19)6-8-4-2-3-5-9(8)12/h2-5H,6-7,12H2,1H3,(H2,13,19)
InChIKeyHXIAFMQXXLALLS-UHFFFAOYSA-N
XLogP-0.72
TPSA115.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide 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

2-[(3-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide
CID 63149855
2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide
CID 65208045
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1-methyltetrazol-5-amine
CID 63152123
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 62921137
2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide
CID 43461279
2-[(2-aminophenyl)methyl-pyrimidin-4-ylamino]acetamide
CID 61253793
2-[(2-aminophenyl)methyl-(5-fluoro-2-pyridinyl)amino]acetamide
CID 61311799
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 103116038
2-[(2-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79713139
2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide
CID 62700876
N-benzoyl-N-(1-methyltetrazol-5-yl)benzamide
CID 135343671
2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 43461380

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide (CID 63149898) is 2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide is Cn1nnnc1N(CC(N)=O)Cc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide?
The InChIKey is HXIAFMQXXLALLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c1-17-11(14-15-16-17)18(7-10(13)19)6-8-4-2-3-5-9(8)12/h2-5H,6-7,12H2,1H3,(H2,13,19).
What are the key properties of 2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide?
2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide has a molecular weight of 261.29 g/mol, XLogP of -0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide is sourced from PubChem (CID 63149898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).