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

C12H14ClN5O — CID 82737556

IUPAC2-chloro-5-[1-(2-methyloxolan-3-yl)tetrazol-5-yl]aniline
SMILESCC1OCCC1n1nnnc1-c1ccc(Cl)c(N)c1
InChIInChI=1S/C12H14ClN5O/c1-7-11(4-5-19-7)18-12(15-16-17-18)8-2-3-9(13)10(14)6-8/h2-3,6-7,11H,4-5,14H2,1H3
InChIKeyARHDPUDYBJBJQY-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.93
Rot. Bonds2

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

2-chloro-5-[1-(2-methyloxolan-3-yl)tetrazol-5-yl]aniline (PubChem CID 82737556) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-chloro-5-[1-(2-methyloxolan-3-yl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-5-[1-(2-methyloxolan-3-yl)tetrazol-5-yl]aniline
PubChem CID82737556
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name2-chloro-5-[1-(2-methyloxolan-3-yl)tetrazol-5-yl]aniline
SMILESCC1OCCC1n1nnnc1-c1ccc(Cl)c(N)c1
InChIInChI=1S/C12H14ClN5O/c1-7-11(4-5-19-7)18-12(15-16-17-18)8-2-3-9(13)10(14)6-8/h2-3,6-7,11H,4-5,14H2,1H3
InChIKeyARHDPUDYBJBJQY-UHFFFAOYSA-N
XLogP1.93
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.93
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 2-chloro-5-[1-(2-methyloxolan-3-yl)tetrazol-5-yl]aniline?
The IUPAC name of 2-chloro-5-[1-(2-methyloxolan-3-yl)tetrazol-5-yl]aniline (CID 82737556) is 2-chloro-5-[1-(2-methyloxolan-3-yl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-5-[1-(2-methyloxolan-3-yl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-chloro-5-[1-(2-methyloxolan-3-yl)tetrazol-5-yl]aniline is CC1OCCC1n1nnnc1-c1ccc(Cl)c(N)c1.
What is the InChIKey of 2-chloro-5-[1-(2-methyloxolan-3-yl)tetrazol-5-yl]aniline?
The InChIKey is ARHDPUDYBJBJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-7-11(4-5-19-7)18-12(15-16-17-18)8-2-3-9(13)10(14)6-8/h2-3,6-7,11H,4-5,14H2,1H3.
What are the key properties of 2-chloro-5-[1-(2-methyloxolan-3-yl)tetrazol-5-yl]aniline?
2-chloro-5-[1-(2-methyloxolan-3-yl)tetrazol-5-yl]aniline has a molecular weight of 279.73 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-(2-methyloxolan-3-yl)tetrazol-5-yl]aniline is sourced from PubChem (CID 82737556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).