N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C13H19N7O3 — CID 122252982

IUPACN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nc(CNC(=O)c2cn(C)nc2OC)nc(N(C)C)n1
InChIInChI=1S/C13H19N7O3/c1-19(2)12-15-9(16-13(17-12)23-5)6-14-10(21)8-7-20(3)18-11(8)22-4/h7H,6H2,1-5H3,(H,14,21)
InChIKeyIJPQELGETAIVSP-UHFFFAOYSA-N
MW321.34 g/mol
LogP-0.38
Rot. Bonds6

About N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 122252982) has the molecular formula C13H19N7O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID122252982
Molecular FormulaC13H19N7O3
Molecular Weight321.34 g/mol
Exact Mass321.15
IUPAC NameN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nc(CNC(=O)c2cn(C)nc2OC)nc(N(C)C)n1
InChIInChI=1S/C13H19N7O3/c1-19(2)12-15-9(16-13(17-12)23-5)6-14-10(21)8-7-20(3)18-11(8)22-4/h7H,6H2,1-5H3,(H,14,21)
InChIKeyIJPQELGETAIVSP-UHFFFAOYSA-N
XLogP-0.38
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzamide
CID 122252893
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide
CID 121137596
2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide
CID 122253015
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122319426
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 122253028
3-methoxy-1-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]pyrazole-4-carboxamide
CID 122255083
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]cyclopentanecarboxamide
CID 122252863
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]acetamide
CID 122252894
3-methoxy-1-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide
CID 122318787
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 121137429
1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-(3-methoxyphenyl)urea
CID 122252907
3-methoxy-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 91819010

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 122252982) is N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nc(CNC(=O)c2cn(C)nc2OC)nc(N(C)C)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is IJPQELGETAIVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O3/c1-19(2)12-15-9(16-13(17-12)23-5)6-14-10(21)8-7-20(3)18-11(8)22-4/h7H,6H2,1-5H3,(H,14,21).
What are the key properties of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 321.34 g/mol, XLogP of -0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 122252982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).