2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazol-3-yl]acetamide

C12H18N6O — CID 131946087

IUPAC2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
SMILESCCc1c(C)nn(Cc2nc(CC(N)=O)n[nH]2)c1C
InChIInChI=1S/C12H18N6O/c1-4-9-7(2)17-18(8(9)3)6-12-14-11(15-16-12)5-10(13)19/h4-6H2,1-3H3,(H2,13,19)(H,14,15,16)
InChIKeyQVVDLJXOCUBEOG-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.26
Rot. Bonds5

About 2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazol-3-yl]acetamide

2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 131946087) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID131946087
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
SMILESCCc1c(C)nn(Cc2nc(CC(N)=O)n[nH]2)c1C
InChIInChI=1S/C12H18N6O/c1-4-9-7(2)17-18(8(9)3)6-12-14-11(15-16-12)5-10(13)19/h4-6H2,1-3H3,(H2,13,19)(H,14,15,16)
InChIKeyQVVDLJXOCUBEOG-UHFFFAOYSA-N
XLogP0.26
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazol-3-yl]acetamide (CID 131946087) is 2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazol-3-yl]acetamide is CCc1c(C)nn(Cc2nc(CC(N)=O)n[nH]2)c1C.
What is the InChIKey of 2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is QVVDLJXOCUBEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-9-7(2)17-18(8(9)3)6-12-14-11(15-16-12)5-10(13)19/h4-6H2,1-3H3,(H2,13,19)(H,14,15,16).
What are the key properties of 2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 262.32 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 131946087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).