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

C13H18N8O3 — CID 121137782

IUPACN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1-methyltriazole-4-carboxamide
SMILESCOc1nc(CNC(=O)c2cn(C)nn2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H18N8O3/c1-20-8-9(18-19-20)11(22)14-7-10-15-12(17-13(16-10)23-2)21-3-5-24-6-4-21/h8H,3-7H2,1-2H3,(H,14,22)
InChIKeyOBHHLAJAYCWBNH-UHFFFAOYSA-N
MW334.34 g/mol
LogP-1.22
Rot. Bonds5

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

N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1-methyltriazole-4-carboxamide (PubChem CID 121137782) has the molecular formula C13H18N8O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1-methyltriazole-4-carboxamide
PubChem CID121137782
Molecular FormulaC13H18N8O3
Molecular Weight334.34 g/mol
Exact Mass334.15
IUPAC NameN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1-methyltriazole-4-carboxamide
SMILESCOc1nc(CNC(=O)c2cn(C)nn2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H18N8O3/c1-20-8-9(18-19-20)11(22)14-7-10-15-12(17-13(16-10)23-2)21-3-5-24-6-4-21/h8H,3-7H2,1-2H3,(H,14,22)
InChIKeyOBHHLAJAYCWBNH-UHFFFAOYSA-N
XLogP-1.22
TPSA120.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

5-(furan-2-yl)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 122253794
3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253694
1-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]triazole-4-carboxamide
CID 122353728
5-acetyl-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
CID 122253859
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122253837
4-ethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253693
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide
CID 122253832
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-1-methyltriazole-4-carboxamide
CID 122254301
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 122253828
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 122253721
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide
CID 122356869
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1-methyltriazole-4-carboxamide (CID 121137782) is N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1-methyltriazole-4-carboxamide is COc1nc(CNC(=O)c2cn(C)nn2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1-methyltriazole-4-carboxamide?
The InChIKey is OBHHLAJAYCWBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N8O3/c1-20-8-9(18-19-20)11(22)14-7-10-15-12(17-13(16-10)23-2)21-3-5-24-6-4-21/h8H,3-7H2,1-2H3,(H,14,22).
What are the key properties of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1-methyltriazole-4-carboxamide?
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1-methyltriazole-4-carboxamide has a molecular weight of 334.34 g/mol, XLogP of -1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 121137782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).