N-[3-(2H-tetrazol-5-yl)phenyl]acetamide

C9H9N5O — CID 3055901

IUPACN-[3-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C9H9N5O/c1-6(15)10-8-4-2-3-7(5-8)9-11-13-14-12-9/h2-5H,1H3,(H,10,15)(H,11,12,13,14)
InChIKeyNWLOCYNIBLCCCR-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.83
Rot. Bonds2

About N-[3-(2H-tetrazol-5-yl)phenyl]acetamide

N-[3-(2H-tetrazol-5-yl)phenyl]acetamide (PubChem CID 3055901) has the molecular formula C9H9N5O and a molecular weight of 203.20 g/mol. Its IUPAC name is N-[3-(2H-tetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2H-tetrazol-5-yl)phenyl]acetamide
PubChem CID3055901
Molecular FormulaC9H9N5O
Molecular Weight203.20 g/mol
Exact Mass203.08
IUPAC NameN-[3-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C9H9N5O/c1-6(15)10-8-4-2-3-7(5-8)9-11-13-14-12-9/h2-5H,1H3,(H,10,15)(H,11,12,13,14)
InChIKeyNWLOCYNIBLCCCR-UHFFFAOYSA-N
XLogP0.83
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]acetamide?
The IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]acetamide (CID 3055901) is N-[3-(2H-tetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2H-tetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(2H-tetrazol-5-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of N-[3-(2H-tetrazol-5-yl)phenyl]acetamide?
The InChIKey is NWLOCYNIBLCCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-6(15)10-8-4-2-3-7(5-8)9-11-13-14-12-9/h2-5H,1H3,(H,10,15)(H,11,12,13,14).
What are the key properties of N-[3-(2H-tetrazol-5-yl)phenyl]acetamide?
N-[3-(2H-tetrazol-5-yl)phenyl]acetamide has a molecular weight of 203.20 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2H-tetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 3055901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).