6-(methylamino)-2H-1,2,4-triazine-3,5-dione

C4H6N4O2 — CID 1270103

IUPAC6-(methylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C4H6N4O2/c1-5-2-3(9)6-4(10)8-7-2/h1H3,(H,5,7)(H2,6,8,9,10)
InChIKeyCCMABXFRTXZZBR-UHFFFAOYSA-N
MW142.12 g/mol
LogP-1.50
Rot. Bonds1

About 6-(methylamino)-2H-1,2,4-triazine-3,5-dione

6-(methylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 1270103) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 6-(methylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(methylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID1270103
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name6-(methylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C4H6N4O2/c1-5-2-3(9)6-4(10)8-7-2/h1H3,(H,5,7)(H2,6,8,9,10)
InChIKeyCCMABXFRTXZZBR-UHFFFAOYSA-N
XLogP-1.50
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(methylamino)-2H-1,2,4-triazine-3,5-dione (CID 1270103) is 6-(methylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(methylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(methylamino)-2H-1,2,4-triazine-3,5-dione is CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(methylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is CCMABXFRTXZZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c1-5-2-3(9)6-4(10)8-7-2/h1H3,(H,5,7)(H2,6,8,9,10).
What are the key properties of 6-(methylamino)-2H-1,2,4-triazine-3,5-dione?
6-(methylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 142.12 g/mol, XLogP of -1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 1270103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).