[5-amino-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride

C13H20BCl2N5O2 — CID 171057874

IUPAC[5-amino-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride
SMILESCl.NC(CCCCB(O)O)c1nnnn1Cc1cccc(Cl)c1
InChIInChI=1S/C13H19BClN5O2.ClH/c15-11-5-3-4-10(8-11)9-20-13(17-18-19-20)12(16)6-1-2-7-14(21)22;/h3-5,8,12,21-22H,1-2,6-7,9,16H2;1H
InChIKeyHAZKFWICTPPEOZ-UHFFFAOYSA-N
MW360.05 g/mol
LogP1.44
Rot. Bonds8

About [5-amino-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride

[5-amino-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride (PubChem CID 171057874) has the molecular formula C13H20BCl2N5O2 and a molecular weight of 360.05 g/mol. Its IUPAC name is [5-amino-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride.

Molecular Properties

Compound Name[5-amino-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride
PubChem CID171057874
Molecular FormulaC13H20BCl2N5O2
Molecular Weight360.05 g/mol
Exact Mass359.11
IUPAC Name[5-amino-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride
SMILESCl.NC(CCCCB(O)O)c1nnnn1Cc1cccc(Cl)c1
InChIInChI=1S/C13H19BClN5O2.ClH/c15-11-5-3-4-10(8-11)9-20-13(17-18-19-20)12(16)6-1-2-7-14(21)22;/h3-5,8,12,21-22H,1-2,6-7,9,16H2;1H
InChIKeyHAZKFWICTPPEOZ-UHFFFAOYSA-N
XLogP1.44
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.05
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [5-amino-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride 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

[5-amino-5-[1-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride
CID 171057986
[5-amino-5-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]pentoxy]boronic acid
CID 163282372
[5-amino-5-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]pentoxy]boronic acid;hydrochloride
CID 163282510
[6-amino-6-[1-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]hexyl]boronic acid;hydrochloride
CID 171057962
4-[5-(1-amino-5-boronopentyl)tetrazol-1-yl]butanoic acid
CID 170795382
1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine
CID 70052916
5-bromo-1-[(3-chlorophenyl)methyl]tetrazole
CID 82093565
[5-amino-5-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]pentyl]boronic acid
CID 170795389
[5-amino-5-[1-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]pentyl]boronic acid
CID 170795435
[5-amino-5-[1-[2-oxo-2-[(2,4,6-trifluorophenyl)methylamino]ethyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride
CID 171057999
[5-amino-5-[1-[2-[(2,4-difluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]pentyl]boronic acid
CID 170795414
[5-amino-5-[1-[2-oxo-2-[(2,3,5,6-tetrafluorophenyl)methylamino]ethyl]tetrazol-5-yl]pentyl]boronic acid
CID 170795439

Frequently Asked Questions

What is the IUPAC name of [5-amino-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride?
The IUPAC name of [5-amino-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride (CID 171057874) is [5-amino-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride.
What is the SMILES notation for [5-amino-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride?
The canonical SMILES for [5-amino-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride is Cl.NC(CCCCB(O)O)c1nnnn1Cc1cccc(Cl)c1.
What is the InChIKey of [5-amino-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride?
The InChIKey is HAZKFWICTPPEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BClN5O2.ClH/c15-11-5-3-4-10(8-11)9-20-13(17-18-19-20)12(16)6-1-2-7-14(21)22;/h3-5,8,12,21-22H,1-2,6-7,9,16H2;1H.
What are the key properties of [5-amino-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride?
[5-amino-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride has a molecular weight of 360.05 g/mol, XLogP of 1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride is sourced from PubChem (CID 171057874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).