N-cyclopropyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

C8H12N4O2 — CID 115774462

IUPACN-cyclopropyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)NC2CC2)c1=O
InChIInChI=1S/C8H12N4O2/c1-11-5-9-12(8(11)14)4-7(13)10-6-2-3-6/h5-6H,2-4H2,1H3,(H,10,13)
InChIKeyXZYMVTVFCZLXDZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.14
Rot. Bonds3

About N-cyclopropyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

N-cyclopropyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 115774462) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID115774462
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC NameN-cyclopropyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)NC2CC2)c1=O
InChIInChI=1S/C8H12N4O2/c1-11-5-9-12(8(11)14)4-7(13)10-6-2-3-6/h5-6H,2-4H2,1H3,(H,10,13)
InChIKeyXZYMVTVFCZLXDZ-UHFFFAOYSA-N
XLogP-1.14
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 115774462) is N-cyclopropyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is Cn1cnn(CC(=O)NC2CC2)c1=O.
What is the InChIKey of N-cyclopropyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is XZYMVTVFCZLXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-11-5-9-12(8(11)14)4-7(13)10-6-2-3-6/h5-6H,2-4H2,1H3,(H,10,13).
What are the key properties of N-cyclopropyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-cyclopropyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 196.21 g/mol, XLogP of -1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 115774462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).