2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)acetamide

C12H18N6O2 — CID 154781725

IUPAC2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ncn(C)c2=O)nn1C(C)C
InChIInChI=1S/C12H18N6O2/c1-8(2)18-9(3)5-10(15-18)14-11(19)6-17-12(20)16(4)7-13-17/h5,7-8H,6H2,1-4H3,(H,14,15,19)
InChIKeyWJDQJELLMLCHJH-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.31
Rot. Bonds4

About 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)acetamide

2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 154781725) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID154781725
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ncn(C)c2=O)nn1C(C)C
InChIInChI=1S/C12H18N6O2/c1-8(2)18-9(3)5-10(15-18)14-11(19)6-17-12(20)16(4)7-13-17/h5,7-8H,6H2,1-4H3,(H,14,15,19)
InChIKeyWJDQJELLMLCHJH-UHFFFAOYSA-N
XLogP0.31
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)acetamide (CID 154781725) is 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2ncn(C)c2=O)nn1C(C)C.
What is the InChIKey of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is WJDQJELLMLCHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-8(2)18-9(3)5-10(15-18)14-11(19)6-17-12(20)16(4)7-13-17/h5,7-8H,6H2,1-4H3,(H,14,15,19).
What are the key properties of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)acetamide?
2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 278.32 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 154781725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).