2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol

C17H18N6O — CID 2419802

IUPAC2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C17H18N6O/c24-16-9-5-4-8-15(16)21-10-12-22(13-11-21)17-18-19-20-23(17)14-6-2-1-3-7-14/h1-9,24H,10-13H2
InChIKeyJQDSLNDHKJBOOI-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.69
Rot. Bonds3

About 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol

2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol (PubChem CID 2419802) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol
PubChem CID2419802
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C17H18N6O/c24-16-9-5-4-8-15(16)21-10-12-22(13-11-21)17-18-19-20-23(17)14-6-2-1-3-7-14/h1-9,24H,10-13H2
InChIKeyJQDSLNDHKJBOOI-UHFFFAOYSA-N
XLogP1.69
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]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

4-[4-(1-Phenyltetrazol-5-yl)piperazin-1-yl]phenol
CID 2480492
2-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 15496731
2-[[5-(4-fluoro-N-methylanilino)-4-methyl-1,2,4-triazol-3-yl]-methylamino]phenol
CID 58324666
1-(2-methoxyphenyl)-4-(1-phenyl-1H-tetrazol-5-yl)piperazine
CID 675344
1-(2-Ethoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
CID 2485410
2-[4-[[1-[4-(Trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]phenol
CID 52366944
1-(4-Fluoro-2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
CID 133315794
4-[5-(Diethylaminomethyl)tetrazol-1-yl]phenol
CID 3029870
4-[4-[4-(1,2,4-Triazol-1-yl)phenyl]piperazin-1-yl]phenol
CID 12877043
N,N-diethyl-3-[1-(2-hydroxyphenyl)tetrazol-5-yl]propanethioamide
CID 54360450
2-[[4,6-bis(2-hydroxy-N-methanidylanilino)-1,3,5-triazin-2-yl]-methanidylamino]phenol;tris(rutherfordium)
CID 58059752
2-[[4-(2-hydroxy-N-prop-2-enylanilino)-6-methoxy-1,3,5-triazin-2-yl]-prop-2-enylamino]phenol
CID 70574816

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol?
The IUPAC name of 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol (CID 2419802) is 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol is Oc1ccccc1N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol?
The InChIKey is JQDSLNDHKJBOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c24-16-9-5-4-8-15(16)21-10-12-22(13-11-21)17-18-19-20-23(17)14-6-2-1-3-7-14/h1-9,24H,10-13H2.
What are the key properties of 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol?
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol has a molecular weight of 322.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol is sourced from PubChem (CID 2419802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).