N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide

C5H8N4O2 — CID 136951777

IUPACN-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCC(=O)NCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H8N4O2/c1-3(10)6-2-4-7-5(11)9-8-4/h2H2,1H3,(H,6,10)(H2,7,8,9,11)
InChIKeyVHXCDKUZPJOQDC-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.27
Rot. Bonds2

About N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide

N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 136951777) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID136951777
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC NameN-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCC(=O)NCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H8N4O2/c1-3(10)6-2-4-7-5(11)9-8-4/h2H2,1H3,(H,6,10)(H2,7,8,9,11)
InChIKeyVHXCDKUZPJOQDC-UHFFFAOYSA-N
XLogP-1.27
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide (CID 136951777) is N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide is CC(=O)NCc1n[nH]c(=O)[nH]1.
What is the InChIKey of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is VHXCDKUZPJOQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-3(10)6-2-4-7-5(11)9-8-4/h2H2,1H3,(H,6,10)(H2,7,8,9,11).
What are the key properties of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 156.15 g/mol, XLogP of -1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 136951777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).