N-phenyl-2-(2H-tetrazol-5-yl)acetamide

C9H9N5O — CID 12590729

IUPACN-phenyl-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1ccccc1
InChIInChI=1S/C9H9N5O/c15-9(6-8-11-13-14-12-8)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,15)(H,11,12,13,14)
InChIKeyWSZXJUNYWNMAOE-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.38
Rot. Bonds3

About N-phenyl-2-(2H-tetrazol-5-yl)acetamide

N-phenyl-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 12590729) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is N-phenyl-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-phenyl-2-(2H-tetrazol-5-yl)acetamide
PubChem CID12590729
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC NameN-phenyl-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1ccccc1
InChIInChI=1S/C9H9N5O/c15-9(6-8-11-13-14-12-8)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,15)(H,11,12,13,14)
InChIKeyWSZXJUNYWNMAOE-UHFFFAOYSA-N
XLogP0.38
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-phenyl-2-(2H-tetrazol-5-yl)acetamide (CID 12590729) is N-phenyl-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-phenyl-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-phenyl-2-(2H-tetrazol-5-yl)acetamide is O=C(Cc1nn[nH]n1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is WSZXJUNYWNMAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c15-9(6-8-11-13-14-12-8)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,15)(H,11,12,13,14).
What are the key properties of N-phenyl-2-(2H-tetrazol-5-yl)acetamide?
N-phenyl-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 203.21 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 12590729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).