2-(4-acetamidotriazol-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide

C10H13N7O2 — CID 112521770

IUPAC2-(4-acetamidotriazol-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide
SMILESCC(=O)Nc1cn(CC(=O)Nc2cn[nH]c2C)nn1
InChIInChI=1S/C10H13N7O2/c1-6-8(3-11-14-6)13-10(19)5-17-4-9(15-16-17)12-7(2)18/h3-4H,5H2,1-2H3,(H,11,14)(H,12,18)(H,13,19)
InChIKeyIYPVQZRHYVDDSG-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.09
Rot. Bonds4

About 2-(4-acetamidotriazol-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide

2-(4-acetamidotriazol-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide (PubChem CID 112521770) has the molecular formula C10H13N7O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-(4-acetamidotriazol-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidotriazol-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide
PubChem CID112521770
Molecular FormulaC10H13N7O2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name2-(4-acetamidotriazol-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide
SMILESCC(=O)Nc1cn(CC(=O)Nc2cn[nH]c2C)nn1
InChIInChI=1S/C10H13N7O2/c1-6-8(3-11-14-6)13-10(19)5-17-4-9(15-16-17)12-7(2)18/h3-4H,5H2,1-2H3,(H,11,14)(H,12,18)(H,13,19)
InChIKeyIYPVQZRHYVDDSG-UHFFFAOYSA-N
XLogP-0.09
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetamidotriazol-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 112525274
2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 112525060
2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112520710
2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide
CID 112524098
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 112524804
N-[1-(aminomethyl)triazol-4-yl]acetamide
CID 129156156
2-(4-acetamidotriazol-1-yl)-N-benzylacetamide
CID 112520101
2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 112525936
2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide
CID 112524243
N-[1-[2-(1H-indazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112527315
2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
CID 112525667
N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112525290

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide (CID 112521770) is 2-(4-acetamidotriazol-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-acetamidotriazol-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-acetamidotriazol-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide is CC(=O)Nc1cn(CC(=O)Nc2cn[nH]c2C)nn1.
What is the InChIKey of 2-(4-acetamidotriazol-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is IYPVQZRHYVDDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O2/c1-6-8(3-11-14-6)13-10(19)5-17-4-9(15-16-17)12-7(2)18/h3-4H,5H2,1-2H3,(H,11,14)(H,12,18)(H,13,19).
What are the key properties of 2-(4-acetamidotriazol-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide?
2-(4-acetamidotriazol-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 263.26 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidotriazol-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 112521770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).