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

C12H18N6O — CID 64512545

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1nc(CN(C)C(=O)Cc2c(C)n[nH]c2C)n[nH]1
InChIInChI=1S/C12H18N6O/c1-7-10(8(2)15-14-7)5-12(19)18(4)6-11-13-9(3)16-17-11/h5-6H2,1-4H3,(H,14,15)(H,13,16,17)
InChIKeyVISUAKWHOGXXOQ-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.65
Rot. Bonds4

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 64512545) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID64512545
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1nc(CN(C)C(=O)Cc2c(C)n[nH]c2C)n[nH]1
InChIInChI=1S/C12H18N6O/c1-7-10(8(2)15-14-7)5-12(19)18(4)6-11-13-9(3)16-17-11/h5-6H2,1-4H3,(H,14,15)(H,13,16,17)
InChIKeyVISUAKWHOGXXOQ-UHFFFAOYSA-N
XLogP0.65
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.65
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-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (CID 64512545) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is Cc1nc(CN(C)C(=O)Cc2c(C)n[nH]c2C)n[nH]1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is VISUAKWHOGXXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-7-10(8(2)15-14-7)5-12(19)18(4)6-11-13-9(3)16-17-11/h5-6H2,1-4H3,(H,14,15)(H,13,16,17).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 262.32 g/mol, XLogP of 0.65, 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-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 64512545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).