N-[1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-4-methylpyrazol-5-yl]acetamide

C12H17N7O — CID 90310062

IUPACN-[1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-4-methylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(C)cnn1-c1nc(C)nc(N(C)C)n1
InChIInChI=1S/C12H17N7O/c1-7-6-13-19(10(7)16-9(3)20)12-15-8(2)14-11(17-12)18(4)5/h6H,1-5H3,(H,16,20)
InChIKeyZDGVFLKXGDCEHV-UHFFFAOYSA-N
MW275.32 g/mol
LogP0.70
Rot. Bonds3

About N-[1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-4-methylpyrazol-5-yl]acetamide

N-[1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-4-methylpyrazol-5-yl]acetamide (PubChem CID 90310062) has the molecular formula C12H17N7O and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-4-methylpyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-4-methylpyrazol-5-yl]acetamide
PubChem CID90310062
Molecular FormulaC12H17N7O
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC NameN-[1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-4-methylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(C)cnn1-c1nc(C)nc(N(C)C)n1
InChIInChI=1S/C12H17N7O/c1-7-6-13-19(10(7)16-9(3)20)12-15-8(2)14-11(17-12)18(4)5/h6H,1-5H3,(H,16,20)
InChIKeyZDGVFLKXGDCEHV-UHFFFAOYSA-N
XLogP0.70
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-4-methylpyrazol-5-yl]acetamide?
The IUPAC name of N-[1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-4-methylpyrazol-5-yl]acetamide (CID 90310062) is N-[1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-4-methylpyrazol-5-yl]acetamide.
What is the SMILES notation for N-[1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-4-methylpyrazol-5-yl]acetamide?
The canonical SMILES for N-[1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-4-methylpyrazol-5-yl]acetamide is CC(=O)Nc1c(C)cnn1-c1nc(C)nc(N(C)C)n1.
What is the InChIKey of N-[1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-4-methylpyrazol-5-yl]acetamide?
The InChIKey is ZDGVFLKXGDCEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O/c1-7-6-13-19(10(7)16-9(3)20)12-15-8(2)14-11(17-12)18(4)5/h6H,1-5H3,(H,16,20).
What are the key properties of N-[1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-4-methylpyrazol-5-yl]acetamide?
N-[1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-4-methylpyrazol-5-yl]acetamide has a molecular weight of 275.32 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-4-methylpyrazol-5-yl]acetamide is sourced from PubChem (CID 90310062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).