1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol

C12H9N5O — CID 136695197

IUPAC1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C=Nc1nn[nH]n1
InChIInChI=1S/C12H9N5O/c18-11-6-5-8-3-1-2-4-9(8)10(11)7-13-12-14-16-17-15-12/h1-7,18H,(H,14,15,16,17)
InChIKeySMOYHYICXQQWRR-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.81
Rot. Bonds2

About 1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol

1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol (PubChem CID 136695197) has the molecular formula C12H9N5O and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol
PubChem CID136695197
Molecular FormulaC12H9N5O
Molecular Weight239.24 g/mol
Exact Mass239.08
IUPAC Name1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C=Nc1nn[nH]n1
InChIInChI=1S/C12H9N5O/c18-11-6-5-8-3-1-2-4-9(8)10(11)7-13-12-14-16-17-15-12/h1-7,18H,(H,14,15,16,17)
InChIKeySMOYHYICXQQWRR-UHFFFAOYSA-N
XLogP1.81
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol?
The IUPAC name of 1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol (CID 136695197) is 1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol?
The canonical SMILES for 1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol is Oc1ccc2ccccc2c1C=Nc1nn[nH]n1.
What is the InChIKey of 1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol?
The InChIKey is SMOYHYICXQQWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O/c18-11-6-5-8-3-1-2-4-9(8)10(11)7-13-12-14-16-17-15-12/h1-7,18H,(H,14,15,16,17).
What are the key properties of 1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol?
1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol has a molecular weight of 239.24 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol is sourced from PubChem (CID 136695197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).