2,4-dimethyl-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1,2,4-triazine-3,5-dione

C10H13N5O2S — CID 61281036

IUPAC2,4-dimethyl-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1,2,4-triazine-3,5-dione
SMILESCc1ncc(CNc2nn(C)c(=O)n(C)c2=O)s1
InChIInChI=1S/C10H13N5O2S/c1-6-11-4-7(18-6)5-12-8-9(16)14(2)10(17)15(3)13-8/h4H,5H2,1-3H3,(H,12,13)
InChIKeyFXMXYHLTXZGQGJ-UHFFFAOYSA-N
MW267.31 g/mol
LogP-0.14
Rot. Bonds3

About 2,4-dimethyl-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1,2,4-triazine-3,5-dione

2,4-dimethyl-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1,2,4-triazine-3,5-dione (PubChem CID 61281036) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1,2,4-triazine-3,5-dione
PubChem CID61281036
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name2,4-dimethyl-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1,2,4-triazine-3,5-dione
SMILESCc1ncc(CNc2nn(C)c(=O)n(C)c2=O)s1
InChIInChI=1S/C10H13N5O2S/c1-6-11-4-7(18-6)5-12-8-9(16)14(2)10(17)15(3)13-8/h4H,5H2,1-3H3,(H,12,13)
InChIKeyFXMXYHLTXZGQGJ-UHFFFAOYSA-N
XLogP-0.14
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2,4-dimethyl-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

CID 43775368
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CID 43777703
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CID 43777783
CID 43777783
CID 55156224
CID 55156224
CID 61280636
CID 61280636
CID 61280838
CID 61280838
CID 61280839
CID 61280839
CID 61281033
CID 61281033
CID 61281034
CID 61281034
CID 61281035
CID 61281035
CID 61281037
CID 61281037
CID 61281226
CID 61281226

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1,2,4-triazine-3,5-dione (CID 61281036) is 2,4-dimethyl-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1,2,4-triazine-3,5-dione is Cc1ncc(CNc2nn(C)c(=O)n(C)c2=O)s1.
What is the InChIKey of 2,4-dimethyl-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1,2,4-triazine-3,5-dione?
The InChIKey is FXMXYHLTXZGQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-6-11-4-7(18-6)5-12-8-9(16)14(2)10(17)15(3)13-8/h4H,5H2,1-3H3,(H,12,13).
What are the key properties of 2,4-dimethyl-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1,2,4-triazine-3,5-dione has a molecular weight of 267.31 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 61281036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).