N-methyl-4-(thiophen-2-ylmethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C11H11N7OS — CID 80873050

IUPACN-methyl-4-(thiophen-2-ylmethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(OCc2cccs2)nc(-n2cncn2)n1
InChIInChI=1S/C11H11N7OS/c1-12-9-15-10(18-7-13-6-14-18)17-11(16-9)19-5-8-3-2-4-20-8/h2-4,6-7H,5H2,1H3,(H,12,15,16,17)
InChIKeyAOLIJJSBEMNFSA-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.13
Rot. Bonds5

About N-methyl-4-(thiophen-2-ylmethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

N-methyl-4-(thiophen-2-ylmethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80873050) has the molecular formula C11H11N7OS and a molecular weight of 289.32 g/mol. Its IUPAC name is N-methyl-4-(thiophen-2-ylmethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(thiophen-2-ylmethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80873050
Molecular FormulaC11H11N7OS
Molecular Weight289.32 g/mol
Exact Mass289.07
IUPAC NameN-methyl-4-(thiophen-2-ylmethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(OCc2cccs2)nc(-n2cncn2)n1
InChIInChI=1S/C11H11N7OS/c1-12-9-15-10(18-7-13-6-14-18)17-11(16-9)19-5-8-3-2-4-20-8/h2-4,6-7H,5H2,1H3,(H,12,15,16,17)
InChIKeyAOLIJJSBEMNFSA-UHFFFAOYSA-N
XLogP1.13
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-methyl-4-(thiophen-2-ylmethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-ethoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853680
4-[(E)-but-2-enoxy]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80873486
4-hexoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80861914
4-(4-iodophenoxy)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80875114
4-(3-bromophenoxy)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80866982
N,4-dimethyl-6-(thiophen-2-ylmethoxy)pyrimidin-2-amine
CID 80873043
N-methyl-4-(1,2,4-triazol-1-yl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80877877
4-(3-chlorothiophen-2-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 107361022
N-methyl-4-(2-methylcyclohexyl)oxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80844946
4-ethoxy-N-methyl-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873581
4-butoxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80865702
N-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80860019

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(thiophen-2-ylmethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-(thiophen-2-ylmethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80873050) is N-methyl-4-(thiophen-2-ylmethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-(thiophen-2-ylmethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-(thiophen-2-ylmethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CNc1nc(OCc2cccs2)nc(-n2cncn2)n1.
What is the InChIKey of N-methyl-4-(thiophen-2-ylmethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is AOLIJJSBEMNFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7OS/c1-12-9-15-10(18-7-13-6-14-18)17-11(16-9)19-5-8-3-2-4-20-8/h2-4,6-7H,5H2,1H3,(H,12,15,16,17).
What are the key properties of N-methyl-4-(thiophen-2-ylmethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
N-methyl-4-(thiophen-2-ylmethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 289.32 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(thiophen-2-ylmethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80873050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).