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

C3H5N5O — CID 10997043

IUPACN-(5H-tetrazol-5-yl)acetamide
SMILESCC(=O)NC1N=NN=N1
InChIInChI=1S/C3H5N5O/c1-2(9)4-3-5-7-8-6-3/h3H,1H3,(H,4,9)
InChIKeyVBTHTSVOUTUULD-UHFFFAOYSA-N
MW127.11 g/mol
LogP0.24
Rot. Bonds1

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

N-(5H-tetrazol-5-yl)acetamide (PubChem CID 10997043) has the molecular formula C3H5N5O and a molecular weight of 127.11 g/mol. Its IUPAC name is N-(5H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(5H-tetrazol-5-yl)acetamide
PubChem CID10997043
Molecular FormulaC3H5N5O
Molecular Weight127.11 g/mol
Exact Mass127.05
IUPAC NameN-(5H-tetrazol-5-yl)acetamide
SMILESCC(=O)NC1N=NN=N1
InChIInChI=1S/C3H5N5O/c1-2(9)4-3-5-7-8-6-3/h3H,1H3,(H,4,9)
InChIKeyVBTHTSVOUTUULD-UHFFFAOYSA-N
XLogP0.24
TPSA78.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.11
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(aminomethyl)acetamide
CID 20395942
N-(diaminomethyl)acetamide
CID 55283943
N-(azidomethyl)acetamide
CID 58445939
N-[(carbonazidoylamino)methyl]acetamide
CID 58837146
acetylene;N-(azidomethyl)acetamide
CID 162124086
Acetamidomethylazanium
CID 70679062

Frequently Asked Questions

What is the IUPAC name of N-(5H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(5H-tetrazol-5-yl)acetamide (CID 10997043) is N-(5H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(5H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(5H-tetrazol-5-yl)acetamide is CC(=O)NC1N=NN=N1.
What is the InChIKey of N-(5H-tetrazol-5-yl)acetamide?
The InChIKey is VBTHTSVOUTUULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5O/c1-2(9)4-3-5-7-8-6-3/h3H,1H3,(H,4,9).
What are the key properties of N-(5H-tetrazol-5-yl)acetamide?
N-(5H-tetrazol-5-yl)acetamide has a molecular weight of 127.11 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 10997043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).