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

C10H13N5S — CID 114448176

IUPAC5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazin-3-amine
SMILESCc1csc(CNc2nnc(C)c(C)n2)n1
InChIInChI=1S/C10H13N5S/c1-6-5-16-9(12-6)4-11-10-13-7(2)8(3)14-15-10/h5H,4H2,1-3H3,(H,11,13,15)
InChIKeyLJQNSTULFWNAAJ-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.87
Rot. Bonds3

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

5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazin-3-amine (PubChem CID 114448176) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazin-3-amine
PubChem CID114448176
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazin-3-amine
SMILESCc1csc(CNc2nnc(C)c(C)n2)n1
InChIInChI=1S/C10H13N5S/c1-6-5-16-9(12-6)4-11-10-13-7(2)8(3)14-15-10/h5H,4H2,1-3H3,(H,11,13,15)
InChIKeyLJQNSTULFWNAAJ-UHFFFAOYSA-N
XLogP1.87
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60733825
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641
5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine
CID 114475451
2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 60706687
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine
CID 130686343
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 82539208
5-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 84597654
5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-amine
CID 106549584
2,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 60733823
4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 62963186
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
CID 115750507
2-N,2-N,6-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80807387

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazin-3-amine (CID 114448176) is 5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazin-3-amine is Cc1csc(CNc2nnc(C)c(C)n2)n1.
What is the InChIKey of 5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazin-3-amine?
The InChIKey is LJQNSTULFWNAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-6-5-16-9(12-6)4-11-10-13-7(2)8(3)14-15-10/h5H,4H2,1-3H3,(H,11,13,15).
What are the key properties of 5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazin-3-amine?
5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazin-3-amine has a molecular weight of 235.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 114448176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).