5,6-dimethyl-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,2,4-triazin-3-amine

C16H17N5S — CID 138018928

IUPAC5,6-dimethyl-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,2,4-triazin-3-amine
SMILESCc1nc(-c2cccc(CNc3nnc(C)c(C)n3)c2)cs1
InChIInChI=1S/C16H17N5S/c1-10-11(2)20-21-16(18-10)17-8-13-5-4-6-14(7-13)15-9-22-12(3)19-15/h4-7,9H,8H2,1-3H3,(H,17,18,21)
InChIKeyGDKGCKDSNCTQAA-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.53
Rot. Bonds4

About 5,6-dimethyl-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,2,4-triazin-3-amine

5,6-dimethyl-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,2,4-triazin-3-amine (PubChem CID 138018928) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is 5,6-dimethyl-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,2,4-triazin-3-amine
PubChem CID138018928
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC Name5,6-dimethyl-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,2,4-triazin-3-amine
SMILESCc1nc(-c2cccc(CNc3nnc(C)c(C)n3)c2)cs1
InChIInChI=1S/C16H17N5S/c1-10-11(2)20-21-16(18-10)17-8-13-5-4-6-14(7-13)15-9-22-12(3)19-15/h4-7,9H,8H2,1-3H3,(H,17,18,21)
InChIKeyGDKGCKDSNCTQAA-UHFFFAOYSA-N
XLogP3.53
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,2,4-triazin-3-amine with MolForge

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Related Compounds

2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 6411033
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 59757858
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 6407588
5-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine
CID 44522113
4-[amino(phenyl)methyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine
CID 155538750
4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine
CID 155539796
4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine
CID 155562365
4-phenyl-N-[6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-yl]-2-thiazolamine
CID 45099945
US10988455, Example 2(xxii)
CID 87371545
N-[6-Methyl-3-(4-methylphenyl)-1,2,4-triazin-5-YL]-N-(2-thienylmethyl)amine
CID 53155987
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
CID 42285955
5-(4-cyclohexylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine
CID 42377478

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,2,4-triazin-3-amine (CID 138018928) is 5,6-dimethyl-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,2,4-triazin-3-amine is Cc1nc(-c2cccc(CNc3nnc(C)c(C)n3)c2)cs1.
What is the InChIKey of 5,6-dimethyl-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,2,4-triazin-3-amine?
The InChIKey is GDKGCKDSNCTQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-10-11(2)20-21-16(18-10)17-8-13-5-4-6-14(7-13)15-9-22-12(3)19-15/h4-7,9H,8H2,1-3H3,(H,17,18,21).
What are the key properties of 5,6-dimethyl-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,2,4-triazin-3-amine?
5,6-dimethyl-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,2,4-triazin-3-amine has a molecular weight of 311.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 138018928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).