4-chloro-3-[1-(2-cyclopentylethyl)tetrazol-5-yl]aniline

C14H18ClN5 — CID 61377416

IUPAC4-chloro-3-[1-(2-cyclopentylethyl)tetrazol-5-yl]aniline
SMILESNc1ccc(Cl)c(-c2nnnn2CCC2CCCC2)c1
InChIInChI=1S/C14H18ClN5/c15-13-6-5-11(16)9-12(13)14-17-18-19-20(14)8-7-10-3-1-2-4-10/h5-6,9-10H,1-4,7-8,16H2
InChIKeyDERQANMJTMRITM-UHFFFAOYSA-N
MW291.79 g/mol
LogP3.16
Rot. Bonds4

About 4-chloro-3-[1-(2-cyclopentylethyl)tetrazol-5-yl]aniline

4-chloro-3-[1-(2-cyclopentylethyl)tetrazol-5-yl]aniline (PubChem CID 61377416) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 4-chloro-3-[1-(2-cyclopentylethyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-chloro-3-[1-(2-cyclopentylethyl)tetrazol-5-yl]aniline
PubChem CID61377416
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name4-chloro-3-[1-(2-cyclopentylethyl)tetrazol-5-yl]aniline
SMILESNc1ccc(Cl)c(-c2nnnn2CCC2CCCC2)c1
InChIInChI=1S/C14H18ClN5/c15-13-6-5-11(16)9-12(13)14-17-18-19-20(14)8-7-10-3-1-2-4-10/h5-6,9-10H,1-4,7-8,16H2
InChIKeyDERQANMJTMRITM-UHFFFAOYSA-N
XLogP3.16
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[1-(2-cyclopentylethyl)tetrazol-5-yl]aniline?
The IUPAC name of 4-chloro-3-[1-(2-cyclopentylethyl)tetrazol-5-yl]aniline (CID 61377416) is 4-chloro-3-[1-(2-cyclopentylethyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-chloro-3-[1-(2-cyclopentylethyl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-chloro-3-[1-(2-cyclopentylethyl)tetrazol-5-yl]aniline is Nc1ccc(Cl)c(-c2nnnn2CCC2CCCC2)c1.
What is the InChIKey of 4-chloro-3-[1-(2-cyclopentylethyl)tetrazol-5-yl]aniline?
The InChIKey is DERQANMJTMRITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c15-13-6-5-11(16)9-12(13)14-17-18-19-20(14)8-7-10-3-1-2-4-10/h5-6,9-10H,1-4,7-8,16H2.
What are the key properties of 4-chloro-3-[1-(2-cyclopentylethyl)tetrazol-5-yl]aniline?
4-chloro-3-[1-(2-cyclopentylethyl)tetrazol-5-yl]aniline has a molecular weight of 291.79 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[1-(2-cyclopentylethyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61377416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).