4-amino-1,3,5-triazinan-2-one;hydrate

C3H10N4O2 — CID 73449560

IUPAC4-amino-1,3,5-triazinan-2-one;hydrate
SMILESNC1NCNC(=O)N1.O
InChIInChI=1S/C3H8N4O.H2O/c4-2-5-1-6-3(8)7-2;/h2,5H,1,4H2,(H2,6,7,8);1H2
InChIKeyTVCZXQJTOMXQGJ-UHFFFAOYSA-N
MW134.14 g/mol
LogP-2.74
Rot. Bonds

About 4-amino-1,3,5-triazinan-2-one;hydrate

4-amino-1,3,5-triazinan-2-one;hydrate (PubChem CID 73449560) has the molecular formula C3H10N4O2 and a molecular weight of 134.14 g/mol. Its IUPAC name is 4-amino-1,3,5-triazinan-2-one;hydrate.

Molecular Properties

Compound Name4-amino-1,3,5-triazinan-2-one;hydrate
PubChem CID73449560
Molecular FormulaC3H10N4O2
Molecular Weight134.14 g/mol
Exact Mass134.08
IUPAC Name4-amino-1,3,5-triazinan-2-one;hydrate
SMILESNC1NCNC(=O)N1.O
InChIInChI=1S/C3H8N4O.H2O/c4-2-5-1-6-3(8)7-2;/h2,5H,1,4H2,(H2,6,7,8);1H2
InChIKeyTVCZXQJTOMXQGJ-UHFFFAOYSA-N
XLogP-2.74
TPSA110.68 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 5-2.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-amino-1,3,5-triazinan-2-one;hydrate 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

2,3,3a,4,6,6a-hexahydro-1H-imidazo[4,5-d]imidazol-5-one
CID 15040712
4-amino-5-bromo-1,3-diazinan-2-one
CID 56624234
5-amino-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one
CID 130136259
3-aminopiperidine-2,6-dione;hydron;chloride
CID 22455952
2-oxoimidazolidine-4-carbohydrazide
CID 70566871
4,9,14-tris[2-(methylamino)ethyl]-1,3,6,8,11,13-hexazacyclopentadecane-2,7,12-trione
CID 59409014
3-aminopyrrolidin-2-one
CID 158709416
6-amino-7-methyl-2,4-diazabicyclo[3.1.1]heptan-3-one
CID 89029119
(4S,4aS,8aS)-4-methyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione
CID 92508884
2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one
CID 74659874
5-amino-1,3-diazinan-4-one
CID 67494237
trans-(3R,9R)-3,9-diamino-1,7-diazacyclododecane-2,8-dione
CID 101477400

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3,5-triazinan-2-one;hydrate?
The IUPAC name of 4-amino-1,3,5-triazinan-2-one;hydrate (CID 73449560) is 4-amino-1,3,5-triazinan-2-one;hydrate.
What is the SMILES notation for 4-amino-1,3,5-triazinan-2-one;hydrate?
The canonical SMILES for 4-amino-1,3,5-triazinan-2-one;hydrate is NC1NCNC(=O)N1.O.
What is the InChIKey of 4-amino-1,3,5-triazinan-2-one;hydrate?
The InChIKey is TVCZXQJTOMXQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4O.H2O/c4-2-5-1-6-3(8)7-2;/h2,5H,1,4H2,(H2,6,7,8);1H2.
What are the key properties of 4-amino-1,3,5-triazinan-2-one;hydrate?
4-amino-1,3,5-triazinan-2-one;hydrate has a molecular weight of 134.14 g/mol, XLogP of -2.74, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3,5-triazinan-2-one;hydrate is sourced from PubChem (CID 73449560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).