2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C11H16N6O — CID 64510082

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C11H16N6O/c1-7-9(8(2)15-14-7)4-11(18)17(3)5-10-12-6-13-16-10/h6H,4-5H2,1-3H3,(H,14,15)(H,12,13,16)
InChIKeyWIXOLDFKQJTUQW-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.35
Rot. Bonds4

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 64510082) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID64510082
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C11H16N6O/c1-7-9(8(2)15-14-7)4-11(18)17(3)5-10-12-6-13-16-10/h6H,4-5H2,1-3H3,(H,14,15)(H,12,13,16)
InChIKeyWIXOLDFKQJTUQW-UHFFFAOYSA-N
XLogP0.35
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 64510082) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is Cc1n[nH]c(C)c1CC(=O)N(C)Cc1ncn[nH]1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is WIXOLDFKQJTUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7-9(8(2)15-14-7)4-11(18)17(3)5-10-12-6-13-16-10/h6H,4-5H2,1-3H3,(H,14,15)(H,12,13,16).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 248.29 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 64510082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).