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

C9H14N4O2 — CID 115774420

IUPACN-cyclopropyl-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCN(C(=O)Cn1ncn(C)c1=O)C1CC1
InChIInChI=1S/C9H14N4O2/c1-11-6-10-13(9(11)15)5-8(14)12(2)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyFRAVRZDJTOPKBC-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.80
Rot. Bonds3

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

N-cyclopropyl-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 115774420) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID115774420
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-cyclopropyl-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCN(C(=O)Cn1ncn(C)c1=O)C1CC1
InChIInChI=1S/C9H14N4O2/c1-11-6-10-13(9(11)15)5-8(14)12(2)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyFRAVRZDJTOPKBC-UHFFFAOYSA-N
XLogP-0.80
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 115774420) is N-cyclopropyl-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is CN(C(=O)Cn1ncn(C)c1=O)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is FRAVRZDJTOPKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-11-6-10-13(9(11)15)5-8(14)12(2)7-3-4-7/h6-7H,3-5H2,1-2H3.
What are the key properties of N-cyclopropyl-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-cyclopropyl-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 210.24 g/mol, XLogP of -0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 115774420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).