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

C8H12N4O3 — CID 137200750

IUPAC3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]oxetane-3-carboxamide
SMILESCC1(C(=O)NCc2n[nH]c(=O)[nH]2)COC1
InChIInChI=1S/C8H12N4O3/c1-8(3-15-4-8)6(13)9-2-5-10-7(14)12-11-5/h2-4H2,1H3,(H,9,13)(H2,10,11,12,14)
InChIKeyJDGYSGMUXVFODR-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.25
Rot. Bonds3

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

3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]oxetane-3-carboxamide (PubChem CID 137200750) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]oxetane-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]oxetane-3-carboxamide
PubChem CID137200750
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]oxetane-3-carboxamide
SMILESCC1(C(=O)NCc2n[nH]c(=O)[nH]2)COC1
InChIInChI=1S/C8H12N4O3/c1-8(3-15-4-8)6(13)9-2-5-10-7(14)12-11-5/h2-4H2,1H3,(H,9,13)(H2,10,11,12,14)
InChIKeyJDGYSGMUXVFODR-UHFFFAOYSA-N
XLogP-1.25
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]oxetane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]oxetane-3-carboxamide?
The IUPAC name of 3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]oxetane-3-carboxamide (CID 137200750) is 3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]oxetane-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]oxetane-3-carboxamide?
The canonical SMILES for 3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]oxetane-3-carboxamide is CC1(C(=O)NCc2n[nH]c(=O)[nH]2)COC1.
What is the InChIKey of 3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]oxetane-3-carboxamide?
The InChIKey is JDGYSGMUXVFODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-8(3-15-4-8)6(13)9-2-5-10-7(14)12-11-5/h2-4H2,1H3,(H,9,13)(H2,10,11,12,14).
What are the key properties of 3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]oxetane-3-carboxamide?
3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]oxetane-3-carboxamide has a molecular weight of 212.21 g/mol, XLogP of -1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]oxetane-3-carboxamide is sourced from PubChem (CID 137200750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).