1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone

C10H11N5O — CID 107047088

IUPAC1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)c2ccccc2N)n1
InChIInChI=1S/C10H11N5O/c1-15-13-10(12-14-15)6-9(16)7-4-2-3-5-8(7)11/h2-5H,6,11H2,1H3
InChIKeyFYUWCPGTMOROLL-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.22
Rot. Bonds3

About 1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone

1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107047088) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107047088
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)c2ccccc2N)n1
InChIInChI=1S/C10H11N5O/c1-15-13-10(12-14-15)6-9(16)7-4-2-3-5-8(7)11/h2-5H,6,11H2,1H3
InChIKeyFYUWCPGTMOROLL-UHFFFAOYSA-N
XLogP0.22
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046873
2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone
CID 107046984
1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063250
1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063619
1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047405
1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063536
1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063406
1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063556
2-[[methyl-[(2-methyltetrazol-5-yl)methyl]amino]methyl]aniline
CID 107043648
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107047811
2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone
CID 130573080
1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046842

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107047088) is 1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)c2ccccc2N)n1.
What is the InChIKey of 1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is FYUWCPGTMOROLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-15-13-10(12-14-15)6-9(16)7-4-2-3-5-8(7)11/h2-5H,6,11H2,1H3.
What are the key properties of 1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 217.23 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107047088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).