N-(2H-tetrazol-5-ylmethyl)acetamide

C4H7N5O — CID 5198497

IUPACN-(2H-tetrazol-5-ylmethyl)acetamide
SMILESCC(=O)NCc1nn[nH]n1
InChIInChI=1S/C4H7N5O/c1-3(10)5-2-4-6-8-9-7-4/h2H2,1H3,(H,5,10)(H,6,7,8,9)
InChIKeyIWXUPAJHLLZSST-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.16
Rot. Bonds2

About N-(2H-tetrazol-5-ylmethyl)acetamide

N-(2H-tetrazol-5-ylmethyl)acetamide (PubChem CID 5198497) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is N-(2H-tetrazol-5-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2H-tetrazol-5-ylmethyl)acetamide
PubChem CID5198497
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC NameN-(2H-tetrazol-5-ylmethyl)acetamide
SMILESCC(=O)NCc1nn[nH]n1
InChIInChI=1S/C4H7N5O/c1-3(10)5-2-4-6-8-9-7-4/h2H2,1H3,(H,5,10)(H,6,7,8,9)
InChIKeyIWXUPAJHLLZSST-UHFFFAOYSA-N
XLogP-1.16
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-ylmethyl)acetamide?
The IUPAC name of N-(2H-tetrazol-5-ylmethyl)acetamide (CID 5198497) is N-(2H-tetrazol-5-ylmethyl)acetamide.
What is the SMILES notation for N-(2H-tetrazol-5-ylmethyl)acetamide?
The canonical SMILES for N-(2H-tetrazol-5-ylmethyl)acetamide is CC(=O)NCc1nn[nH]n1.
What is the InChIKey of N-(2H-tetrazol-5-ylmethyl)acetamide?
The InChIKey is IWXUPAJHLLZSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O/c1-3(10)5-2-4-6-8-9-7-4/h2H2,1H3,(H,5,10)(H,6,7,8,9).
What are the key properties of N-(2H-tetrazol-5-ylmethyl)acetamide?
N-(2H-tetrazol-5-ylmethyl)acetamide has a molecular weight of 141.13 g/mol, XLogP of -1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-ylmethyl)acetamide is sourced from PubChem (CID 5198497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).