N-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

C11H16N8OS — CID 80882713

IUPACN-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(Sc2n[nH]c(C)n2)nc(N2CCOCC2)n1
InChIInChI=1S/C11H16N8OS/c1-7-13-11(18-17-7)21-10-15-8(12-2)14-9(16-10)19-3-5-20-6-4-19/h3-6H2,1-2H3,(H,13,17,18)(H,12,14,15,16)
InChIKeyBNPCNQQKWQSWDL-UHFFFAOYSA-N
MW308.37 g/mol
LogP0.33
Rot. Bonds4

About N-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

N-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 80882713) has the molecular formula C11H16N8OS and a molecular weight of 308.37 g/mol. Its IUPAC name is N-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID80882713
Molecular FormulaC11H16N8OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC NameN-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(Sc2n[nH]c(C)n2)nc(N2CCOCC2)n1
InChIInChI=1S/C11H16N8OS/c1-7-13-11(18-17-7)21-10-15-8(12-2)14-9(16-10)19-3-5-20-6-4-19/h3-6H2,1-2H3,(H,13,17,18)(H,12,14,15,16)
InChIKeyBNPCNQQKWQSWDL-UHFFFAOYSA-N
XLogP0.33
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-morpholin-4-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80885654
2-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazine
CID 62866344
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
N-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80882736
N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80881867
4-(furan-2-ylmethylsulfanyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80872582
2-N-cyclopropyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80769956
4-methyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-1,2,4-triazol-5-one
CID 80882363
4-N-methyl-2-N-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 83034207
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
CID 2989170
N-methyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80894979
4-(2,2-difluoroethoxy)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 82009481

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 80882713) is N-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is CNc1nc(Sc2n[nH]c(C)n2)nc(N2CCOCC2)n1.
What is the InChIKey of N-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is BNPCNQQKWQSWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N8OS/c1-7-13-11(18-17-7)21-10-15-8(12-2)14-9(16-10)19-3-5-20-6-4-19/h3-6H2,1-2H3,(H,13,17,18)(H,12,14,15,16).
What are the key properties of N-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 308.37 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80882713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).