1-[5-(3-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid

C12H16N4O2 — CID 81167589

IUPAC1-[5-(3-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(n2nnnc2C2CC3CC3C2)CCC1
InChIInChI=1S/C12H16N4O2/c17-11(18)12(2-1-3-12)16-10(13-14-15-16)9-5-7-4-8(7)6-9/h7-9H,1-6H2,(H,17,18)
InChIKeyWHLMAXSBNKDPBD-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.15
Rot. Bonds3

About 1-[5-(3-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid

1-[5-(3-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid (PubChem CID 81167589) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-[5-(3-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-(3-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
PubChem CID81167589
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-[5-(3-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(n2nnnc2C2CC3CC3C2)CCC1
InChIInChI=1S/C12H16N4O2/c17-11(18)12(2-1-3-12)16-10(13-14-15-16)9-5-7-4-8(7)6-9/h7-9H,1-6H2,(H,17,18)
InChIKeyWHLMAXSBNKDPBD-UHFFFAOYSA-N
XLogP1.15
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[5-(3-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid (CID 81167589) is 1-[5-(3-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[5-(3-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[5-(3-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid is O=C(O)C1(n2nnnc2C2CC3CC3C2)CCC1.
What is the InChIKey of 1-[5-(3-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The InChIKey is WHLMAXSBNKDPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c17-11(18)12(2-1-3-12)16-10(13-14-15-16)9-5-7-4-8(7)6-9/h7-9H,1-6H2,(H,17,18).
What are the key properties of 1-[5-(3-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
1-[5-(3-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid has a molecular weight of 248.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81167589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).