6-amino-3-methyl-1H-1,3,5-triazine-2,4-dione

C4H6N4O2 — CID 23516186

IUPAC6-amino-3-methyl-1H-1,3,5-triazine-2,4-dione
SMILESCn1c(=O)nc(N)[nH]c1=O
InChIInChI=1S/C4H6N4O2/c1-8-3(9)6-2(5)7-4(8)10/h1H3,(H3,5,6,7,9,10)
InChIKeyXSMWJRWXZWBGFQ-UHFFFAOYSA-N
MW142.12 g/mol
LogP-1.95
Rot. Bonds

About 6-amino-3-methyl-1H-1,3,5-triazine-2,4-dione

6-amino-3-methyl-1H-1,3,5-triazine-2,4-dione (PubChem CID 23516186) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 6-amino-3-methyl-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-1H-1,3,5-triazine-2,4-dione
PubChem CID23516186
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name6-amino-3-methyl-1H-1,3,5-triazine-2,4-dione
SMILESCn1c(=O)nc(N)[nH]c1=O
InChIInChI=1S/C4H6N4O2/c1-8-3(9)6-2(5)7-4(8)10/h1H3,(H3,5,6,7,9,10)
InChIKeyXSMWJRWXZWBGFQ-UHFFFAOYSA-N
XLogP-1.95
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-1.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-1H-1,3,5-triazine-2,4-dione (CID 23516186) is 6-amino-3-methyl-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-1H-1,3,5-triazine-2,4-dione is Cn1c(=O)nc(N)[nH]c1=O.
What is the InChIKey of 6-amino-3-methyl-1H-1,3,5-triazine-2,4-dione?
The InChIKey is XSMWJRWXZWBGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c1-8-3(9)6-2(5)7-4(8)10/h1H3,(H3,5,6,7,9,10).
What are the key properties of 6-amino-3-methyl-1H-1,3,5-triazine-2,4-dione?
6-amino-3-methyl-1H-1,3,5-triazine-2,4-dione has a molecular weight of 142.12 g/mol, XLogP of -1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 23516186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).