2,4,6-trioxo-1,3,5-triazinane-1-carboximidamide

C4H5N5O3 — CID 54027278

IUPAC2,4,6-trioxo-1,3,5-triazinane-1-carboximidamide
SMILES[H]/N=C(\N)n1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C4H5N5O3/c5-1(6)9-3(11)7-2(10)8-4(9)12/h(H3,5,6)(H2,7,8,10,11,12)
InChIKeyLDBVXZXNPHVIDG-UHFFFAOYSA-N
MW171.12 g/mol
LogP-3.03
Rot. Bonds

About 2,4,6-trioxo-1,3,5-triazinane-1-carboximidamide

2,4,6-trioxo-1,3,5-triazinane-1-carboximidamide (PubChem CID 54027278) has the molecular formula C4H5N5O3 and a molecular weight of 171.12 g/mol. Its IUPAC name is 2,4,6-trioxo-1,3,5-triazinane-1-carboximidamide.

Molecular Properties

Compound Name2,4,6-trioxo-1,3,5-triazinane-1-carboximidamide
PubChem CID54027278
Molecular FormulaC4H5N5O3
Molecular Weight171.12 g/mol
Exact Mass171.04
IUPAC Name2,4,6-trioxo-1,3,5-triazinane-1-carboximidamide
SMILES[H]/N=C(\N)n1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C4H5N5O3/c5-1(6)9-3(11)7-2(10)8-4(9)12/h(H3,5,6)(H2,7,8,10,11,12)
InChIKeyLDBVXZXNPHVIDG-UHFFFAOYSA-N
XLogP-3.03
TPSA137.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 5-3.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2,4,6-trioxo-1,3,5-triazinane-1-carboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(1-hydroxyethenyl)-1,3,5-triazinane-2,4,6-trione
CID 121419597
2-oxo-1,5-diazaspiro[2.3]hexane-5-carboximidamide
CID 156544662
4-oxopiperidine-1-carboximidamide
CID 19089226
2-oxoazetidine-1-carboximidamide
CID 118484842
1-(2-hydroxyprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 70483409
3-oxopiperazine-1-carboximidamide;hydrochloride
CID 135397176
oxaziridine-2-carboximidamide
CID 87822276
1-ethenyl-1,3,5-triazinane-2,4,6-trione
CID 23513449
4-(ethylideneamino)-3-methyl-2-oxo-1H-imidazole-5-carboximidamide
CID 174331722
2-methylideneazetidine-1-carboximidamide
CID 118492858
ethene;1,3,5-triazinane-2,4,6-trione
CID 174213756
oxaziridine-2-carboximidamide;hydrochloride
CID 87822275

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trioxo-1,3,5-triazinane-1-carboximidamide?
The IUPAC name of 2,4,6-trioxo-1,3,5-triazinane-1-carboximidamide (CID 54027278) is 2,4,6-trioxo-1,3,5-triazinane-1-carboximidamide.
What is the SMILES notation for 2,4,6-trioxo-1,3,5-triazinane-1-carboximidamide?
The canonical SMILES for 2,4,6-trioxo-1,3,5-triazinane-1-carboximidamide is [H]/N=C(\N)n1c(=O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2,4,6-trioxo-1,3,5-triazinane-1-carboximidamide?
The InChIKey is LDBVXZXNPHVIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5O3/c5-1(6)9-3(11)7-2(10)8-4(9)12/h(H3,5,6)(H2,7,8,10,11,12).
What are the key properties of 2,4,6-trioxo-1,3,5-triazinane-1-carboximidamide?
2,4,6-trioxo-1,3,5-triazinane-1-carboximidamide has a molecular weight of 171.12 g/mol, XLogP of -3.03, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trioxo-1,3,5-triazinane-1-carboximidamide is sourced from PubChem (CID 54027278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).