2-[(3-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide

C11H15N7O — CID 63149855

IUPAC2-[(3-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide
SMILESCn1nnnc1N(CC(N)=O)Cc1cccc(N)c1
InChIInChI=1S/C11H15N7O/c1-17-11(14-15-16-17)18(7-10(13)19)6-8-3-2-4-9(12)5-8/h2-5H,6-7,12H2,1H3,(H2,13,19)
InChIKeyRICCCNRNRTXTQP-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.72
Rot. Bonds5

About 2-[(3-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide

2-[(3-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide (PubChem CID 63149855) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide
PubChem CID63149855
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-[(3-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide
SMILESCn1nnnc1N(CC(N)=O)Cc1cccc(N)c1
InChIInChI=1S/C11H15N7O/c1-17-11(14-15-16-17)18(7-10(13)19)6-8-3-2-4-9(12)5-8/h2-5H,6-7,12H2,1H3,(H2,13,19)
InChIKeyRICCCNRNRTXTQP-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'}

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Related Compounds

2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide
CID 63149898
2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide
CID 60874955
2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide
CID 106550306
2-[(3-aminophenyl)methyl-(6-methoxy-2-pyridinyl)amino]acetamide
CID 63589902
2-[(3-aminophenyl)methyl-(5,6-dimethylpyrazin-2-yl)amino]acetamide
CID 114476656
2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide
CID 43461206
2-[(3-aminophenyl)methyl-(5-bromo-2-pyridinyl)amino]acetamide
CID 60875903
2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide
CID 62734371
2-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79713137
3-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]propanamide
CID 43384175
2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide
CID 43461228
2-[(3-aminophenyl)methyl-octylamino]acetamide
CID 43461268

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide (CID 63149855) is 2-[(3-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide is Cn1nnnc1N(CC(N)=O)Cc1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide?
The InChIKey is RICCCNRNRTXTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c1-17-11(14-15-16-17)18(7-10(13)19)6-8-3-2-4-9(12)5-8/h2-5H,6-7,12H2,1H3,(H2,13,19).
What are the key properties of 2-[(3-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide?
2-[(3-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-[(3-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide is sourced from PubChem (CID 63149855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).