2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol

C15H15N5O — CID 115603162

IUPAC2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol
SMILESOc1ccccc1CNCc1nnnn1-c1ccccc1
InChIInChI=1S/C15H15N5O/c21-14-9-5-4-6-12(14)10-16-11-15-17-18-19-20(15)13-7-2-1-3-8-13/h1-9,16,21H,10-11H2
InChIKeyNEDYFNAMGUGYQI-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.66
Rot. Bonds5

About 2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol

2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol (PubChem CID 115603162) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol
PubChem CID115603162
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol
SMILESOc1ccccc1CNCc1nnnn1-c1ccccc1
InChIInChI=1S/C15H15N5O/c21-14-9-5-4-6-12(14)10-16-11-15-17-18-19-20(15)13-7-2-1-3-8-13/h1-9,16,21H,10-11H2
InChIKeyNEDYFNAMGUGYQI-UHFFFAOYSA-N
XLogP1.66
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol 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

N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 62627608
5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107317393
4-[(1-phenyltetrazol-5-yl)methylamino]butanamide
CID 62626871
1-[[(1-phenyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 65108941
1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 63243666
1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 60671794
2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
CID 107852716
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 55108359
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-phenyltetrazol-5-yl)methanamine
CID 106372826

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol?
The IUPAC name of 2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol (CID 115603162) is 2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol?
The canonical SMILES for 2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol is Oc1ccccc1CNCc1nnnn1-c1ccccc1.
What is the InChIKey of 2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol?
The InChIKey is NEDYFNAMGUGYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c21-14-9-5-4-6-12(14)10-16-11-15-17-18-19-20(15)13-7-2-1-3-8-13/h1-9,16,21H,10-11H2.
What are the key properties of 2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol?
2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol has a molecular weight of 281.32 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol is sourced from PubChem (CID 115603162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).