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

C11H13N5O — CID 80715215

IUPAC4-[1-(oxolan-3-yl)tetrazol-5-yl]aniline
SMILESNc1ccc(-c2nnnn2C2CCOC2)cc1
InChIInChI=1S/C11H13N5O/c12-9-3-1-8(2-4-9)11-13-14-15-16(11)10-5-6-17-7-10/h1-4,10H,5-7,12H2
InChIKeyICXVMECWHHTFSI-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.88
Rot. Bonds2

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

4-[1-(oxolan-3-yl)tetrazol-5-yl]aniline (PubChem CID 80715215) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-[1-(oxolan-3-yl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-[1-(oxolan-3-yl)tetrazol-5-yl]aniline
PubChem CID80715215
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-[1-(oxolan-3-yl)tetrazol-5-yl]aniline
SMILESNc1ccc(-c2nnnn2C2CCOC2)cc1
InChIInChI=1S/C11H13N5O/c12-9-3-1-8(2-4-9)11-13-14-15-16(11)10-5-6-17-7-10/h1-4,10H,5-7,12H2
InChIKeyICXVMECWHHTFSI-UHFFFAOYSA-N
XLogP0.88
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.88
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-[1-(oxolan-3-yl)tetrazol-5-yl]aniline?
The IUPAC name of 4-[1-(oxolan-3-yl)tetrazol-5-yl]aniline (CID 80715215) is 4-[1-(oxolan-3-yl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-[1-(oxolan-3-yl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-[1-(oxolan-3-yl)tetrazol-5-yl]aniline is Nc1ccc(-c2nnnn2C2CCOC2)cc1.
What is the InChIKey of 4-[1-(oxolan-3-yl)tetrazol-5-yl]aniline?
The InChIKey is ICXVMECWHHTFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-9-3-1-8(2-4-9)11-13-14-15-16(11)10-5-6-17-7-10/h1-4,10H,5-7,12H2.
What are the key properties of 4-[1-(oxolan-3-yl)tetrazol-5-yl]aniline?
4-[1-(oxolan-3-yl)tetrazol-5-yl]aniline has a molecular weight of 231.26 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxolan-3-yl)tetrazol-5-yl]aniline is sourced from PubChem (CID 80715215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).