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

C5H8N4O2 — CID 43410700

IUPAC6-(ethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H8N4O2/c1-2-6-3-4(10)7-5(11)9-8-3/h2H2,1H3,(H,6,8)(H2,7,9,10,11)
InChIKeyQSSJDEVSQYQSMD-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.11
Rot. Bonds2

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

6-(ethylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 43410700) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 6-(ethylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(ethylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID43410700
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name6-(ethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H8N4O2/c1-2-6-3-4(10)7-5(11)9-8-3/h2H2,1H3,(H,6,8)(H2,7,9,10,11)
InChIKeyQSSJDEVSQYQSMD-UHFFFAOYSA-N
XLogP-1.11
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-(ethylamino)-2H-1,2,4-triazine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(ethylamino)-2H-1,2,4-triazine-3,5-dione (CID 43410700) is 6-(ethylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(ethylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(ethylamino)-2H-1,2,4-triazine-3,5-dione is CCNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(ethylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is QSSJDEVSQYQSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-2-6-3-4(10)7-5(11)9-8-3/h2H2,1H3,(H,6,8)(H2,7,9,10,11).
What are the key properties of 6-(ethylamino)-2H-1,2,4-triazine-3,5-dione?
6-(ethylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 156.15 g/mol, XLogP of -1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).