N-[4-(tetrazol-1-yl)phenyl]acetamide

C9H9N5O — CID 539520

IUPACN-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C9H9N5O/c1-7(15)11-8-2-4-9(5-3-8)14-6-10-12-13-14/h2-6H,1H3,(H,11,15)
InChIKeyGYKMWESSHHRRKK-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.62
Rot. Bonds2

About N-[4-(tetrazol-1-yl)phenyl]acetamide

N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 539520) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID539520
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC NameN-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C9H9N5O/c1-7(15)11-8-2-4-9(5-3-8)14-6-10-12-13-14/h2-6H,1H3,(H,11,15)
InChIKeyGYKMWESSHHRRKK-UHFFFAOYSA-N
XLogP0.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Phenyl-1H-tetrazole
CID 138477
4-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 571640
(2-oxo-2-{[4-(1H-tetrazol-1-yl)phenyl]amino}ethoxy)acetic acid
CID 4494116
4-(1,2,4-Triazol-1-yl)aniline
CID 735826
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 4846985
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)propanamide
CID 930432
N-phenyl-3-(1H-tetrazol-1-yl)propanamide
CID 1511455
N-(2-fluorophenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 1511818
N-[4-(4H-1,2,4-triazol-4-yl)phenyl]acetamide
CID 4086562
N-[4-(tetrazol-1-yl)phenyl]cyclobutanecarboxamide
CID 649889
2-Piperidin-1-yl-N-(3-tetrazol-1-yl-phenyl)-acetamide
CID 653916
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-N-methylacetamide
CID 801188

Frequently Asked Questions

What is the IUPAC name of N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 539520) is N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(tetrazol-1-yl)phenyl]acetamide is CC(=O)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is GYKMWESSHHRRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-7(15)11-8-2-4-9(5-3-8)14-6-10-12-13-14/h2-6H,1H3,(H,11,15).
What are the key properties of N-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 203.21 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 539520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).