4-methoxy-2-[1-(oxolan-3-yl)tetrazol-5-yl]aniline

C12H15N5O2 — CID 80714836

IUPAC4-methoxy-2-[1-(oxolan-3-yl)tetrazol-5-yl]aniline
SMILESCOc1ccc(N)c(-c2nnnn2C2CCOC2)c1
InChIInChI=1S/C12H15N5O2/c1-18-9-2-3-11(13)10(6-9)12-14-15-16-17(12)8-4-5-19-7-8/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyUJONXGWTAQNIBU-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.89
Rot. Bonds3

About 4-methoxy-2-[1-(oxolan-3-yl)tetrazol-5-yl]aniline

4-methoxy-2-[1-(oxolan-3-yl)tetrazol-5-yl]aniline (PubChem CID 80714836) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-methoxy-2-[1-(oxolan-3-yl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-methoxy-2-[1-(oxolan-3-yl)tetrazol-5-yl]aniline
PubChem CID80714836
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name4-methoxy-2-[1-(oxolan-3-yl)tetrazol-5-yl]aniline
SMILESCOc1ccc(N)c(-c2nnnn2C2CCOC2)c1
InChIInChI=1S/C12H15N5O2/c1-18-9-2-3-11(13)10(6-9)12-14-15-16-17(12)8-4-5-19-7-8/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyUJONXGWTAQNIBU-UHFFFAOYSA-N
XLogP0.89
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-methoxy-2-[1-(oxolan-3-yl)tetrazol-5-yl]aniline?
The IUPAC name of 4-methoxy-2-[1-(oxolan-3-yl)tetrazol-5-yl]aniline (CID 80714836) is 4-methoxy-2-[1-(oxolan-3-yl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-methoxy-2-[1-(oxolan-3-yl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-methoxy-2-[1-(oxolan-3-yl)tetrazol-5-yl]aniline is COc1ccc(N)c(-c2nnnn2C2CCOC2)c1.
What is the InChIKey of 4-methoxy-2-[1-(oxolan-3-yl)tetrazol-5-yl]aniline?
The InChIKey is UJONXGWTAQNIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-18-9-2-3-11(13)10(6-9)12-14-15-16-17(12)8-4-5-19-7-8/h2-3,6,8H,4-5,7,13H2,1H3.
What are the key properties of 4-methoxy-2-[1-(oxolan-3-yl)tetrazol-5-yl]aniline?
4-methoxy-2-[1-(oxolan-3-yl)tetrazol-5-yl]aniline has a molecular weight of 261.28 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[1-(oxolan-3-yl)tetrazol-5-yl]aniline is sourced from PubChem (CID 80714836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).