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

C15H20ClN5 — CID 106010924

IUPAC4-chloro-3-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline
SMILESNc1ccc(Cl)c(-c2nnnn2CCCC2CCCC2)c1
InChIInChI=1S/C15H20ClN5/c16-14-8-7-12(17)10-13(14)15-18-19-20-21(15)9-3-6-11-4-1-2-5-11/h7-8,10-11H,1-6,9,17H2
InChIKeyPPHKGDHFTOTBQX-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.55
Rot. Bonds5

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

4-chloro-3-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline (PubChem CID 106010924) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-chloro-3-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-chloro-3-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline
PubChem CID106010924
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name4-chloro-3-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline
SMILESNc1ccc(Cl)c(-c2nnnn2CCCC2CCCC2)c1
InChIInChI=1S/C15H20ClN5/c16-14-8-7-12(17)10-13(14)15-18-19-20-21(15)9-3-6-11-4-1-2-5-11/h7-8,10-11H,1-6,9,17H2
InChIKeyPPHKGDHFTOTBQX-UHFFFAOYSA-N
XLogP3.55
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.55
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-3-[1-(2-cyclopentylethyl)tetrazol-5-yl]aniline
CID 61377416
4-chloro-3-(1-pentyltetrazol-5-yl)aniline
CID 61353076
4-chloro-3-(1-cyclopentyltetrazol-5-yl)aniline
CID 61378718
2-bromo-5-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline
CID 106010927
4-chloro-3-[1-(2,2-difluoroethyl)tetrazol-5-yl]aniline
CID 113304028
3-chloro-4-[1-(3-ethoxypropyl)tetrazol-5-yl]aniline
CID 61377370
3-chloro-4-[1-(3-propoxypropyl)tetrazol-5-yl]aniline
CID 82946634
3-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-methylaniline
CID 61352252
3-(1-butyltetrazol-5-yl)-4-methylaniline
CID 61352668
3-[1-[(2-bromophenyl)methyl]tetrazol-5-yl]-4-chloroaniline
CID 61414414
4-chloro-3-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]aniline
CID 79871241
3-(1-butyltetrazol-5-yl)-4-fluoroaniline
CID 61351874

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline?
The IUPAC name of 4-chloro-3-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline (CID 106010924) is 4-chloro-3-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-chloro-3-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-chloro-3-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline is Nc1ccc(Cl)c(-c2nnnn2CCCC2CCCC2)c1.
What is the InChIKey of 4-chloro-3-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline?
The InChIKey is PPHKGDHFTOTBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c16-14-8-7-12(17)10-13(14)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 4-chloro-3-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline?
4-chloro-3-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline has a molecular weight of 305.81 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 106010924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).