5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol

C13H19N5O — CID 107317393

IUPAC5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol
SMILESOCCCCCNCc1nnnn1-c1ccccc1
InChIInChI=1S/C13H19N5O/c19-10-6-2-5-9-14-11-13-15-16-17-18(13)12-7-3-1-4-8-12/h1,3-4,7-8,14,19H,2,5-6,9-11H2
InChIKeyBEGYGPVBTRDZFW-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.91
Rot. Bonds8

About 5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol

5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol (PubChem CID 107317393) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol
PubChem CID107317393
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol
SMILESOCCCCCNCc1nnnn1-c1ccccc1
InChIInChI=1S/C13H19N5O/c19-10-6-2-5-9-14-11-13-15-16-17-18(13)12-7-3-1-4-8-12/h1,3-4,7-8,14,19H,2,5-6,9-11H2
InChIKeyBEGYGPVBTRDZFW-UHFFFAOYSA-N
XLogP0.91
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol 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

4-[(1-phenyltetrazol-5-yl)methylamino]butanamide
CID 62626871
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
3-butoxy-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine
CID 115573451
2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol
CID 115603162
2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
CID 107852716
3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide
CID 62626872
N'-cyclopropyl-N'-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethane-1,2-diamine
CID 62977216
2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
CID 79811196
1-[[(1-phenyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 65108941
5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107303026
1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 63243666

Frequently Asked Questions

What is the IUPAC name of 5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol?
The IUPAC name of 5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol (CID 107317393) is 5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol?
The canonical SMILES for 5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol is OCCCCCNCc1nnnn1-c1ccccc1.
What is the InChIKey of 5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol?
The InChIKey is BEGYGPVBTRDZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c19-10-6-2-5-9-14-11-13-15-16-17-18(13)12-7-3-1-4-8-12/h1,3-4,7-8,14,19H,2,5-6,9-11H2.
What are the key properties of 5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol?
5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol has a molecular weight of 261.33 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 107317393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).