N-[2-(2H-tetrazol-5-yl)phenyl]formamide

C8H7N5O — CID 54145151

IUPACN-[2-(2H-tetrazol-5-yl)phenyl]formamide
SMILESO=CNc1ccccc1-c1nn[nH]n1
InChIInChI=1S/C8H7N5O/c14-5-9-7-4-2-1-3-6(7)8-10-12-13-11-8/h1-5H,(H,9,14)(H,10,11,12,13)
InChIKeyVIUYLWIGLJRJHG-UHFFFAOYSA-N
MW189.18 g/mol
LogP0.44
Rot. Bonds3

About N-[2-(2H-tetrazol-5-yl)phenyl]formamide

N-[2-(2H-tetrazol-5-yl)phenyl]formamide (PubChem CID 54145151) has the molecular formula C8H7N5O and a molecular weight of 189.18 g/mol. Its IUPAC name is N-[2-(2H-tetrazol-5-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[2-(2H-tetrazol-5-yl)phenyl]formamide
PubChem CID54145151
Molecular FormulaC8H7N5O
Molecular Weight189.18 g/mol
Exact Mass189.07
IUPAC NameN-[2-(2H-tetrazol-5-yl)phenyl]formamide
SMILESO=CNc1ccccc1-c1nn[nH]n1
InChIInChI=1S/C8H7N5O/c14-5-9-7-4-2-1-3-6(7)8-10-12-13-11-8/h1-5H,(H,9,14)(H,10,11,12,13)
InChIKeyVIUYLWIGLJRJHG-UHFFFAOYSA-N
XLogP0.44
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2H-tetrazol-5-yl)phenyl]formamide?
The IUPAC name of N-[2-(2H-tetrazol-5-yl)phenyl]formamide (CID 54145151) is N-[2-(2H-tetrazol-5-yl)phenyl]formamide.
What is the SMILES notation for N-[2-(2H-tetrazol-5-yl)phenyl]formamide?
The canonical SMILES for N-[2-(2H-tetrazol-5-yl)phenyl]formamide is O=CNc1ccccc1-c1nn[nH]n1.
What is the InChIKey of N-[2-(2H-tetrazol-5-yl)phenyl]formamide?
The InChIKey is VIUYLWIGLJRJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O/c14-5-9-7-4-2-1-3-6(7)8-10-12-13-11-8/h1-5H,(H,9,14)(H,10,11,12,13).
What are the key properties of N-[2-(2H-tetrazol-5-yl)phenyl]formamide?
N-[2-(2H-tetrazol-5-yl)phenyl]formamide has a molecular weight of 189.18 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2H-tetrazol-5-yl)phenyl]formamide is sourced from PubChem (CID 54145151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).