5-chloro-2-(5-cyclopentyltetrazol-1-yl)aniline

C12H14ClN5 — CID 62076355

IUPAC5-chloro-2-(5-cyclopentyltetrazol-1-yl)aniline
SMILESNc1cc(Cl)ccc1-n1nnnc1C1CCCC1
InChIInChI=1S/C12H14ClN5/c13-9-5-6-11(10(14)7-9)18-12(15-16-17-18)8-3-1-2-4-8/h5-8H,1-4,14H2
InChIKeyIQEDOCMABSVNSH-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.56
Rot. Bonds2

About 5-chloro-2-(5-cyclopentyltetrazol-1-yl)aniline

5-chloro-2-(5-cyclopentyltetrazol-1-yl)aniline (PubChem CID 62076355) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 5-chloro-2-(5-cyclopentyltetrazol-1-yl)aniline.

Molecular Properties

Compound Name5-chloro-2-(5-cyclopentyltetrazol-1-yl)aniline
PubChem CID62076355
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name5-chloro-2-(5-cyclopentyltetrazol-1-yl)aniline
SMILESNc1cc(Cl)ccc1-n1nnnc1C1CCCC1
InChIInChI=1S/C12H14ClN5/c13-9-5-6-11(10(14)7-9)18-12(15-16-17-18)8-3-1-2-4-8/h5-8H,1-4,14H2
InChIKeyIQEDOCMABSVNSH-UHFFFAOYSA-N
XLogP2.56
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.56
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

4-chloro-2-(5-cyclohexyltetrazol-1-yl)aniline
CID 62076027
5-chloro-2-(5-cyclopentyltetrazol-1-yl)benzoic acid
CID 62075212
2-(5-cyclohexyltetrazol-1-yl)-5-methoxyaniline
CID 62075867
5-amino-2-(5-cyclopentyltetrazol-1-yl)benzonitrile
CID 62077370
4-(5-cyclopropyltetrazol-1-yl)-3-methylaniline
CID 62077006
5-cyclohexyl-1-(4-fluoro-2-iodophenyl)tetrazole
CID 79766240
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-chloroaniline
CID 82746682
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloroaniline
CID 115558894
5-bromo-3-(5-cyclopropyltetrazol-1-yl)pyridin-2-amine
CID 118180428
5-chloro-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40788179
5-chloro-2-cyclobutylaniline
CID 68784096
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloroaniline
CID 43620175

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-cyclopentyltetrazol-1-yl)aniline?
The IUPAC name of 5-chloro-2-(5-cyclopentyltetrazol-1-yl)aniline (CID 62076355) is 5-chloro-2-(5-cyclopentyltetrazol-1-yl)aniline.
What is the SMILES notation for 5-chloro-2-(5-cyclopentyltetrazol-1-yl)aniline?
The canonical SMILES for 5-chloro-2-(5-cyclopentyltetrazol-1-yl)aniline is Nc1cc(Cl)ccc1-n1nnnc1C1CCCC1.
What is the InChIKey of 5-chloro-2-(5-cyclopentyltetrazol-1-yl)aniline?
The InChIKey is IQEDOCMABSVNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c13-9-5-6-11(10(14)7-9)18-12(15-16-17-18)8-3-1-2-4-8/h5-8H,1-4,14H2.
What are the key properties of 5-chloro-2-(5-cyclopentyltetrazol-1-yl)aniline?
5-chloro-2-(5-cyclopentyltetrazol-1-yl)aniline has a molecular weight of 263.73 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-cyclopentyltetrazol-1-yl)aniline is sourced from PubChem (CID 62076355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).