1-amino-4-methyl-1,2,4-triazolidine-3,5-dione

C3H6N4O2 — CID 123914684

IUPAC1-amino-4-methyl-1,2,4-triazolidine-3,5-dione
SMILESCn1c(=O)[nH]n(N)c1=O
InChIInChI=1S/C3H6N4O2/c1-6-2(8)5-7(4)3(6)9/h4H2,1H3,(H,5,8)
InChIKeyKCHUFECPIPBGPY-UHFFFAOYSA-N
MW130.11 g/mol
LogP-2.41
Rot. Bonds

About 1-amino-4-methyl-1,2,4-triazolidine-3,5-dione

1-amino-4-methyl-1,2,4-triazolidine-3,5-dione (PubChem CID 123914684) has the molecular formula C3H6N4O2 and a molecular weight of 130.11 g/mol. Its IUPAC name is 1-amino-4-methyl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1-amino-4-methyl-1,2,4-triazolidine-3,5-dione
PubChem CID123914684
Molecular FormulaC3H6N4O2
Molecular Weight130.11 g/mol
Exact Mass130.05
IUPAC Name1-amino-4-methyl-1,2,4-triazolidine-3,5-dione
SMILESCn1c(=O)[nH]n(N)c1=O
InChIInChI=1S/C3H6N4O2/c1-6-2(8)5-7(4)3(6)9/h4H2,1H3,(H,5,8)
InChIKeyKCHUFECPIPBGPY-UHFFFAOYSA-N
XLogP-2.41
TPSA85.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.11
LogP ≤ 5-2.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-amino-4-methyl-1,2,4-triazolidine-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 1-amino-4-methyl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1-amino-4-methyl-1,2,4-triazolidine-3,5-dione (CID 123914684) is 1-amino-4-methyl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1-amino-4-methyl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1-amino-4-methyl-1,2,4-triazolidine-3,5-dione is Cn1c(=O)[nH]n(N)c1=O.
What is the InChIKey of 1-amino-4-methyl-1,2,4-triazolidine-3,5-dione?
The InChIKey is KCHUFECPIPBGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O2/c1-6-2(8)5-7(4)3(6)9/h4H2,1H3,(H,5,8).
What are the key properties of 1-amino-4-methyl-1,2,4-triazolidine-3,5-dione?
1-amino-4-methyl-1,2,4-triazolidine-3,5-dione has a molecular weight of 130.11 g/mol, XLogP of -2.41, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-methyl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 123914684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).