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

C10H13N5O — CID 107047811

IUPAC1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCn1nnc(CC(O)c2ccccc2N)n1
InChIInChI=1S/C10H13N5O/c1-15-13-10(12-14-15)6-9(16)7-4-2-3-5-8(7)11/h2-5,9,16H,6,11H2,1H3
InChIKeyKMRZAQOOTNVPSS-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.07
Rot. Bonds3

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

1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol (PubChem CID 107047811) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol
PubChem CID107047811
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCn1nnc(CC(O)c2ccccc2N)n1
InChIInChI=1S/C10H13N5O/c1-15-13-10(12-14-15)6-9(16)7-4-2-3-5-8(7)11/h2-5,9,16H,6,11H2,1H3
InChIKeyKMRZAQOOTNVPSS-UHFFFAOYSA-N
XLogP0.07
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 107045890
1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 114030498
1-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107103559
1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065856
1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045875
1-(2,5-dimethylthiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045984
1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045900
2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107064971
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047088
4-[1-hydroxy-2-(2-methyltetrazol-5-yl)ethyl]benzaldehyde
CID 20601525
2-N-ethyl-2-N-[(2-methyltetrazol-5-yl)methyl]benzene-1,2-diamine
CID 107043699
1-(3-fluoro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107048053

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The IUPAC name of 1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol (CID 107047811) is 1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol.
What is the SMILES notation for 1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The canonical SMILES for 1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol is Cn1nnc(CC(O)c2ccccc2N)n1.
What is the InChIKey of 1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The InChIKey is KMRZAQOOTNVPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-15-13-10(12-14-15)6-9(16)7-4-2-3-5-8(7)11/h2-5,9,16H,6,11H2,1H3.
What are the key properties of 1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol?
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol has a molecular weight of 219.25 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 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)ethanol is sourced from PubChem (CID 107047811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).