4-chloro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline

C13H16ClN5O — CID 61378568

IUPAC4-chloro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline
SMILESCC(C1CCCO1)n1nnnc1-c1cc(Cl)ccc1N
InChIInChI=1S/C13H16ClN5O/c1-8(12-3-2-6-20-12)19-13(16-17-18-19)10-7-9(14)4-5-11(10)15/h4-5,7-8,12H,2-3,6,15H2,1H3
InChIKeyLXGZFOYFKKMVEX-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.32
Rot. Bonds3

About 4-chloro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline

4-chloro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline (PubChem CID 61378568) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 4-chloro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-chloro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline
PubChem CID61378568
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name4-chloro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline
SMILESCC(C1CCCO1)n1nnnc1-c1cc(Cl)ccc1N
InChIInChI=1S/C13H16ClN5O/c1-8(12-3-2-6-20-12)19-13(16-17-18-19)10-7-9(14)4-5-11(10)15/h4-5,7-8,12H,2-3,6,15H2,1H3
InChIKeyLXGZFOYFKKMVEX-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 4-chloro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline?
The IUPAC name of 4-chloro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline (CID 61378568) is 4-chloro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 4-chloro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline?
The canonical SMILES for 4-chloro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline is CC(C1CCCO1)n1nnnc1-c1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline?
The InChIKey is LXGZFOYFKKMVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-8(12-3-2-6-20-12)19-13(16-17-18-19)10-7-9(14)4-5-11(10)15/h4-5,7-8,12H,2-3,6,15H2,1H3.
What are the key properties of 4-chloro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline?
4-chloro-2-[1-[1-(oxolan-2-yl)ethyl]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 4-chloro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 61378568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).