4-chloro-3-(1-cyclopentyltetrazol-5-yl)aniline

C12H14ClN5 — CID 61378718

IUPAC4-chloro-3-(1-cyclopentyltetrazol-5-yl)aniline
SMILESNc1ccc(Cl)c(-c2nnnn2C2CCCC2)c1
InChIInChI=1S/C12H14ClN5/c13-11-6-5-8(14)7-10(11)12-15-16-17-18(12)9-3-1-2-4-9/h5-7,9H,1-4,14H2
InChIKeyABVJDGARSOTRQJ-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.69
Rot. Bonds2

About 4-chloro-3-(1-cyclopentyltetrazol-5-yl)aniline

4-chloro-3-(1-cyclopentyltetrazol-5-yl)aniline (PubChem CID 61378718) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-3-(1-cyclopentyltetrazol-5-yl)aniline.

Molecular Properties

Compound Name4-chloro-3-(1-cyclopentyltetrazol-5-yl)aniline
PubChem CID61378718
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name4-chloro-3-(1-cyclopentyltetrazol-5-yl)aniline
SMILESNc1ccc(Cl)c(-c2nnnn2C2CCCC2)c1
InChIInChI=1S/C12H14ClN5/c13-11-6-5-8(14)7-10(11)12-15-16-17-18(12)9-3-1-2-4-9/h5-7,9H,1-4,14H2
InChIKeyABVJDGARSOTRQJ-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
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-cyclopentyltetrazol-5-yl)aniline?
The IUPAC name of 4-chloro-3-(1-cyclopentyltetrazol-5-yl)aniline (CID 61378718) is 4-chloro-3-(1-cyclopentyltetrazol-5-yl)aniline.
What is the SMILES notation for 4-chloro-3-(1-cyclopentyltetrazol-5-yl)aniline?
The canonical SMILES for 4-chloro-3-(1-cyclopentyltetrazol-5-yl)aniline is Nc1ccc(Cl)c(-c2nnnn2C2CCCC2)c1.
What is the InChIKey of 4-chloro-3-(1-cyclopentyltetrazol-5-yl)aniline?
The InChIKey is ABVJDGARSOTRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c13-11-6-5-8(14)7-10(11)12-15-16-17-18(12)9-3-1-2-4-9/h5-7,9H,1-4,14H2.
What are the key properties of 4-chloro-3-(1-cyclopentyltetrazol-5-yl)aniline?
4-chloro-3-(1-cyclopentyltetrazol-5-yl)aniline has a molecular weight of 263.73 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1-cyclopentyltetrazol-5-yl)aniline is sourced from PubChem (CID 61378718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).