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

C8H9N5O2S — CID 103703865

IUPAC6-[(5-methyl-1,3-thiazol-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCc1cnc(CNc2n[nH]c(=O)[nH]c2=O)s1
InChIInChI=1S/C8H9N5O2S/c1-4-2-9-5(16-4)3-10-6-7(14)11-8(15)13-12-6/h2H,3H2,1H3,(H,10,12)(H2,11,13,14,15)
InChIKeyFXEHRFMBMJLZOX-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.16
Rot. Bonds3

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

6-[(5-methyl-1,3-thiazol-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 103703865) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is 6-[(5-methyl-1,3-thiazol-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(5-methyl-1,3-thiazol-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID103703865
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Name6-[(5-methyl-1,3-thiazol-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCc1cnc(CNc2n[nH]c(=O)[nH]c2=O)s1
InChIInChI=1S/C8H9N5O2S/c1-4-2-9-5(16-4)3-10-6-7(14)11-8(15)13-12-6/h2H,3H2,1H3,(H,10,12)(H2,11,13,14,15)
InChIKeyFXEHRFMBMJLZOX-UHFFFAOYSA-N
XLogP-0.16
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-[(4-methylphenyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 43410674
5-methoxy-4-[(5-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136999745
6-amino-1-methyl-5-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-2,4-dione
CID 103703856
N-[(5-methyl-1,3-thiazol-2-yl)methyl]formamide
CID 22916690
3-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 103703845
6-methoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 114127983
6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
CID 61208376
6-ethoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 114128058
N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride
CID 56773659
(5-methyl-1,3-thiazol-2-yl)methylurea
CID 103708250
N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
CID 115655830
4-ethylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 103895801

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-1,3-thiazol-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(5-methyl-1,3-thiazol-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione (CID 103703865) is 6-[(5-methyl-1,3-thiazol-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(5-methyl-1,3-thiazol-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(5-methyl-1,3-thiazol-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione is Cc1cnc(CNc2n[nH]c(=O)[nH]c2=O)s1.
What is the InChIKey of 6-[(5-methyl-1,3-thiazol-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is FXEHRFMBMJLZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-4-2-9-5(16-4)3-10-6-7(14)11-8(15)13-12-6/h2H,3H2,1H3,(H,10,12)(H2,11,13,14,15).
What are the key properties of 6-[(5-methyl-1,3-thiazol-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[(5-methyl-1,3-thiazol-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 239.26 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-1,3-thiazol-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103703865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).