5-(7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-yl)tetrazol-1-amine

C8H7N5O — CID 90715725

IUPAC5-(7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-yl)tetrazol-1-amine
SMILESNn1nnnc1C1Oc2ccccc21
InChIInChI=1S/C8H7N5O/c9-13-8(10-11-12-13)7-5-3-1-2-4-6(5)14-7/h1-4,7H,9H2
InChIKeyDNTPGWYFUPYAID-UHFFFAOYSA-N
MW189.18 g/mol
LogP-0.13
Rot. Bonds1

About 5-(7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-yl)tetrazol-1-amine

5-(7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-yl)tetrazol-1-amine (PubChem CID 90715725) has the molecular formula C8H7N5O and a molecular weight of 189.18 g/mol. Its IUPAC name is 5-(7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-yl)tetrazol-1-amine.

Molecular Properties

Compound Name5-(7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-yl)tetrazol-1-amine
PubChem CID90715725
Molecular FormulaC8H7N5O
Molecular Weight189.18 g/mol
Exact Mass189.07
IUPAC Name5-(7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-yl)tetrazol-1-amine
SMILESNn1nnnc1C1Oc2ccccc21
InChIInChI=1S/C8H7N5O/c9-13-8(10-11-12-13)7-5-3-1-2-4-6(5)14-7/h1-4,7H,9H2
InChIKeyDNTPGWYFUPYAID-UHFFFAOYSA-N
XLogP-0.13
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-yl)tetrazol-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-yl)tetrazol-1-amine?
The IUPAC name of 5-(7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-yl)tetrazol-1-amine (CID 90715725) is 5-(7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-yl)tetrazol-1-amine.
What is the SMILES notation for 5-(7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-yl)tetrazol-1-amine?
The canonical SMILES for 5-(7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-yl)tetrazol-1-amine is Nn1nnnc1C1Oc2ccccc21.
What is the InChIKey of 5-(7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-yl)tetrazol-1-amine?
The InChIKey is DNTPGWYFUPYAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O/c9-13-8(10-11-12-13)7-5-3-1-2-4-6(5)14-7/h1-4,7H,9H2.
What are the key properties of 5-(7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-yl)tetrazol-1-amine?
5-(7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-yl)tetrazol-1-amine has a molecular weight of 189.18 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-yl)tetrazol-1-amine is sourced from PubChem (CID 90715725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).