N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide

C9H16N4O2 — CID 115885262

IUPACN-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1ncn(C)c1=O
InChIInChI=1S/C9H16N4O2/c1-7(2)12(4)8(14)5-13-9(15)11(3)6-10-13/h6-7H,5H2,1-4H3
InChIKeyGPFXPVSPSYHOQC-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.55
Rot. Bonds3

About N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide

N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide (PubChem CID 115885262) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide
PubChem CID115885262
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1ncn(C)c1=O
InChIInChI=1S/C9H16N4O2/c1-7(2)12(4)8(14)5-13-9(15)11(3)6-10-13/h6-7H,5H2,1-4H3
InChIKeyGPFXPVSPSYHOQC-UHFFFAOYSA-N
XLogP-0.55
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide (CID 115885262) is N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide is CC(C)N(C)C(=O)Cn1ncn(C)c1=O.
What is the InChIKey of N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is GPFXPVSPSYHOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-7(2)12(4)8(14)5-13-9(15)11(3)6-10-13/h6-7H,5H2,1-4H3.
What are the key properties of N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide?
N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 212.25 g/mol, XLogP of -0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 115885262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).