3-azabicyclo[3.1.0]hexan-3-yl(2H-tetrazol-5-yl)methanone

C7H9N5O — CID 130935332

IUPAC3-azabicyclo[3.1.0]hexan-3-yl(2H-tetrazol-5-yl)methanone
SMILESO=C(c1nn[nH]n1)N1CC2CC2C1
InChIInChI=1S/C7H9N5O/c13-7(6-8-10-11-9-6)12-2-4-1-5(4)3-12/h4-5H,1-3H2,(H,8,9,10,11)
InChIKeyGYDCLEOMYJOSSR-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.71
Rot. Bonds1

About 3-azabicyclo[3.1.0]hexan-3-yl(2H-tetrazol-5-yl)methanone

3-azabicyclo[3.1.0]hexan-3-yl(2H-tetrazol-5-yl)methanone (PubChem CID 130935332) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexan-3-yl(2H-tetrazol-5-yl)methanone.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexan-3-yl(2H-tetrazol-5-yl)methanone
PubChem CID130935332
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name3-azabicyclo[3.1.0]hexan-3-yl(2H-tetrazol-5-yl)methanone
SMILESO=C(c1nn[nH]n1)N1CC2CC2C1
InChIInChI=1S/C7H9N5O/c13-7(6-8-10-11-9-6)12-2-4-1-5(4)3-12/h4-5H,1-3H2,(H,8,9,10,11)
InChIKeyGYDCLEOMYJOSSR-UHFFFAOYSA-N
XLogP-0.71
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexan-3-yl(2H-tetrazol-5-yl)methanone?
The IUPAC name of 3-azabicyclo[3.1.0]hexan-3-yl(2H-tetrazol-5-yl)methanone (CID 130935332) is 3-azabicyclo[3.1.0]hexan-3-yl(2H-tetrazol-5-yl)methanone.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexan-3-yl(2H-tetrazol-5-yl)methanone?
The canonical SMILES for 3-azabicyclo[3.1.0]hexan-3-yl(2H-tetrazol-5-yl)methanone is O=C(c1nn[nH]n1)N1CC2CC2C1.
What is the InChIKey of 3-azabicyclo[3.1.0]hexan-3-yl(2H-tetrazol-5-yl)methanone?
The InChIKey is GYDCLEOMYJOSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c13-7(6-8-10-11-9-6)12-2-4-1-5(4)3-12/h4-5H,1-3H2,(H,8,9,10,11).
What are the key properties of 3-azabicyclo[3.1.0]hexan-3-yl(2H-tetrazol-5-yl)methanone?
3-azabicyclo[3.1.0]hexan-3-yl(2H-tetrazol-5-yl)methanone has a molecular weight of 179.18 g/mol, XLogP of -0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.1.0]hexan-3-yl(2H-tetrazol-5-yl)methanone is sourced from PubChem (CID 130935332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).