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

C13H16ClN5O — CID 63663473

IUPAC3-chloro-2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]aniline
SMILESCOC1CCCC1n1nnnc1-c1c(N)cccc1Cl
InChIInChI=1S/C13H16ClN5O/c1-20-11-7-3-6-10(11)19-13(16-17-18-19)12-8(14)4-2-5-9(12)15/h2,4-5,10-11H,3,6-7,15H2,1H3
InChIKeyILKKGFQNKHJBLP-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.32
Rot. Bonds3

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

3-chloro-2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]aniline (PubChem CID 63663473) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 3-chloro-2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-chloro-2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]aniline
PubChem CID63663473
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name3-chloro-2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]aniline
SMILESCOC1CCCC1n1nnnc1-c1c(N)cccc1Cl
InChIInChI=1S/C13H16ClN5O/c1-20-11-7-3-6-10(11)19-13(16-17-18-19)12-8(14)4-2-5-9(12)15/h2,4-5,10-11H,3,6-7,15H2,1H3
InChIKeyILKKGFQNKHJBLP-UHFFFAOYSA-N
XLogP2.32
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]aniline?
The IUPAC name of 3-chloro-2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]aniline (CID 63663473) is 3-chloro-2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-chloro-2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-chloro-2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]aniline is COC1CCCC1n1nnnc1-c1c(N)cccc1Cl.
What is the InChIKey of 3-chloro-2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]aniline?
The InChIKey is ILKKGFQNKHJBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-20-11-7-3-6-10(11)19-13(16-17-18-19)12-8(14)4-2-5-9(12)15/h2,4-5,10-11H,3,6-7,15H2,1H3.
What are the key properties of 3-chloro-2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]aniline?
3-chloro-2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]aniline has a molecular weight of 293.76 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 63663473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).