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

C11H15N7OS — CID 107765210

IUPACN-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(SC2CCOC2C)nc(-n2cncn2)n1
InChIInChI=1S/C11H15N7OS/c1-7-8(3-4-19-7)20-11-16-9(12-2)15-10(17-11)18-6-13-5-14-18/h5-8H,3-4H2,1-2H3,(H,12,15,16,17)
InChIKeyTYWGCYHNFOJDMV-UHFFFAOYSA-N
MW293.36 g/mol
LogP0.76
Rot. Bonds4

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

N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 107765210) has the molecular formula C11H15N7OS and a molecular weight of 293.36 g/mol. Its IUPAC name is N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID107765210
Molecular FormulaC11H15N7OS
Molecular Weight293.36 g/mol
Exact Mass293.11
IUPAC NameN-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(SC2CCOC2C)nc(-n2cncn2)n1
InChIInChI=1S/C11H15N7OS/c1-7-8(3-4-19-7)20-11-16-9(12-2)15-10(17-11)18-6-13-5-14-18/h5-8H,3-4H2,1-2H3,(H,12,15,16,17)
InChIKeyTYWGCYHNFOJDMV-UHFFFAOYSA-N
XLogP0.76
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

4-(2,6-dimethylmorpholin-4-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80749453
N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 107765156
4-butylsulfanyl-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80884142
4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80831390
4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80887405
4-N-methyl-2-N-(2-methylcyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80829419
N-methyl-4-(2-methylcyclohexyl)oxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80844946
4-cyclopentylsulfanyl-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80887621
4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80840951
N-methyl-4-pyridin-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80882673
4-ethoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853680
3-[[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
CID 80832039

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 107765210) is N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CNc1nc(SC2CCOC2C)nc(-n2cncn2)n1.
What is the InChIKey of N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is TYWGCYHNFOJDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7OS/c1-7-8(3-4-19-7)20-11-16-9(12-2)15-10(17-11)18-6-13-5-14-18/h5-8H,3-4H2,1-2H3,(H,12,15,16,17).
What are the key properties of N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 293.36 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 107765210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).