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

C6H10N4O2 — CID 136596363

IUPACN-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCC(=O)N(C)Cc1n[nH]c(=O)[nH]1
InChIInChI=1S/C6H10N4O2/c1-4(11)10(2)3-5-7-6(12)9-8-5/h3H2,1-2H3,(H2,7,8,9,12)
InChIKeySNDMWQYLHGGIAR-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.92
Rot. Bonds2

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

N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 136596363) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID136596363
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC NameN-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCC(=O)N(C)Cc1n[nH]c(=O)[nH]1
InChIInChI=1S/C6H10N4O2/c1-4(11)10(2)3-5-7-6(12)9-8-5/h3H2,1-2H3,(H2,7,8,9,12)
InChIKeySNDMWQYLHGGIAR-UHFFFAOYSA-N
XLogP-0.92
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide (CID 136596363) is N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide is CC(=O)N(C)Cc1n[nH]c(=O)[nH]1.
What is the InChIKey of N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is SNDMWQYLHGGIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-4(11)10(2)3-5-7-6(12)9-8-5/h3H2,1-2H3,(H2,7,8,9,12).
What are the key properties of N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 170.17 g/mol, XLogP of -0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 136596363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).