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

C5H9N5O — CID 89191568

IUPACN-[2-(2H-tetrazol-5-yl)ethyl]acetamide
SMILESCC(=O)NCCc1nn[nH]n1
InChIInChI=1S/C5H9N5O/c1-4(11)6-3-2-5-7-9-10-8-5/h2-3H2,1H3,(H,6,11)(H,7,8,9,10)
InChIKeyUTDIIQKJSCDHFH-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.12
Rot. Bonds3

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

N-[2-(2H-tetrazol-5-yl)ethyl]acetamide (PubChem CID 89191568) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is N-[2-(2H-tetrazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2H-tetrazol-5-yl)ethyl]acetamide
PubChem CID89191568
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC NameN-[2-(2H-tetrazol-5-yl)ethyl]acetamide
SMILESCC(=O)NCCc1nn[nH]n1
InChIInChI=1S/C5H9N5O/c1-4(11)6-3-2-5-7-9-10-8-5/h2-3H2,1H3,(H,6,11)(H,7,8,9,10)
InChIKeyUTDIIQKJSCDHFH-UHFFFAOYSA-N
XLogP-1.12
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 18618243
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CID 110496410
CID 110496410
CID 110496418
CID 110496418
CID 134846699
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CID 61852334
CID 61852334
CID 130562017
CID 130562017
CID 166179016
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CID 5198497
CID 5198497

Frequently Asked Questions

What is the IUPAC name of N-[2-(2H-tetrazol-5-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2H-tetrazol-5-yl)ethyl]acetamide (CID 89191568) is N-[2-(2H-tetrazol-5-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2H-tetrazol-5-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2H-tetrazol-5-yl)ethyl]acetamide is CC(=O)NCCc1nn[nH]n1.
What is the InChIKey of N-[2-(2H-tetrazol-5-yl)ethyl]acetamide?
The InChIKey is UTDIIQKJSCDHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-4(11)6-3-2-5-7-9-10-8-5/h2-3H2,1H3,(H,6,11)(H,7,8,9,10).
What are the key properties of N-[2-(2H-tetrazol-5-yl)ethyl]acetamide?
N-[2-(2H-tetrazol-5-yl)ethyl]acetamide has a molecular weight of 155.16 g/mol, XLogP of -1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2H-tetrazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 89191568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).