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

C12H17N7O2 — CID 91796824

IUPAC2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]acetamide
SMILESCC(=O)c1c(C)nn(CC(=O)NCc2nc(N)n[nH]2)c1C
InChIInChI=1S/C12H17N7O2/c1-6-11(8(3)20)7(2)19(18-6)5-10(21)14-4-9-15-12(13)17-16-9/h4-5H2,1-3H3,(H,14,21)(H3,13,15,16,17)
InChIKeyPIYJFVWLBOUZRW-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.28
Rot. Bonds5

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

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]acetamide (PubChem CID 91796824) has the molecular formula C12H17N7O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]acetamide
PubChem CID91796824
Molecular FormulaC12H17N7O2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]acetamide
SMILESCC(=O)c1c(C)nn(CC(=O)NCc2nc(N)n[nH]2)c1C
InChIInChI=1S/C12H17N7O2/c1-6-11(8(3)20)7(2)19(18-6)5-10(21)14-4-9-15-12(13)17-16-9/h4-5H2,1-3H3,(H,14,21)(H3,13,15,16,17)
InChIKeyPIYJFVWLBOUZRW-UHFFFAOYSA-N
XLogP-0.28
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide
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methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate
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CID 91778612
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpyridine-4-carboxamide
CID 131910457
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]acetamide (CID 91796824) is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]acetamide is CC(=O)c1c(C)nn(CC(=O)NCc2nc(N)n[nH]2)c1C.
What is the InChIKey of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]acetamide?
The InChIKey is PIYJFVWLBOUZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O2/c1-6-11(8(3)20)7(2)19(18-6)5-10(21)14-4-9-15-12(13)17-16-9/h4-5H2,1-3H3,(H,14,21)(H3,13,15,16,17).
What are the key properties of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]acetamide?
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]acetamide has a molecular weight of 291.31 g/mol, XLogP of -0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]acetamide is sourced from PubChem (CID 91796824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).