2-bromo-5-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline

C15H20BrN5 — CID 106010927

IUPAC2-bromo-5-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline
SMILESNc1cc(-c2nnnn2CCCC2CCCC2)ccc1Br
InChIInChI=1S/C15H20BrN5/c16-13-8-7-12(10-14(13)17)15-18-19-20-21(15)9-3-6-11-4-1-2-5-11/h7-8,10-11H,1-6,9,17H2
InChIKeyPVPMXDHCXJXTQH-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.66
Rot. Bonds5

About 2-bromo-5-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline

2-bromo-5-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline (PubChem CID 106010927) has the molecular formula C15H20BrN5 and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-bromo-5-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-bromo-5-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline
PubChem CID106010927
Molecular FormulaC15H20BrN5
Molecular Weight350.26 g/mol
Exact Mass349.09
IUPAC Name2-bromo-5-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline
SMILESNc1cc(-c2nnnn2CCCC2CCCC2)ccc1Br
InChIInChI=1S/C15H20BrN5/c16-13-8-7-12(10-14(13)17)15-18-19-20-21(15)9-3-6-11-4-1-2-5-11/h7-8,10-11H,1-6,9,17H2
InChIKeyPVPMXDHCXJXTQH-UHFFFAOYSA-N
XLogP3.66
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-[1-[(3-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
CID 107415099
2-bromo-5-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline
CID 79359804
4-chloro-3-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline
CID 106010924
2-bromo-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline
CID 104765158
5-(1-benzyltetrazol-5-yl)-2-bromoaniline
CID 61354077
5-(1-butyltetrazol-5-yl)-2-methylaniline
CID 61351684
2-bromo-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline
CID 61376603
2-bromo-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]aniline
CID 62531409
2-methyl-5-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]aniline
CID 115521931
5-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]-2-methylaniline
CID 82228499
2-chloro-4-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]aniline
CID 82779058
4-chloro-3-[1-(2-cyclopentylethyl)tetrazol-5-yl]aniline
CID 61377416

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-bromo-5-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline (CID 106010927) is 2-bromo-5-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-bromo-5-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-bromo-5-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline is Nc1cc(-c2nnnn2CCCC2CCCC2)ccc1Br.
What is the InChIKey of 2-bromo-5-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline?
The InChIKey is PVPMXDHCXJXTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN5/c16-13-8-7-12(10-14(13)17)15-18-19-20-21(15)9-3-6-11-4-1-2-5-11/h7-8,10-11H,1-6,9,17H2.
What are the key properties of 2-bromo-5-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline?
2-bromo-5-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline has a molecular weight of 350.26 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 106010927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).