6-[(4-hydroxycyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione

C9H14N4O3 — CID 43410687

IUPAC6-[(4-hydroxycyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NC2CCC(O)CC2)c(=O)[nH]1
InChIInChI=1S/C9H14N4O3/c14-6-3-1-5(2-4-6)10-7-8(15)11-9(16)13-12-7/h5-6,14H,1-4H2,(H,10,12)(H2,11,13,15,16)
InChIKeyGJQVOYYROYREHB-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.83
Rot. Bonds2

About 6-[(4-hydroxycyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione

6-[(4-hydroxycyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 43410687) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-[(4-hydroxycyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(4-hydroxycyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID43410687
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name6-[(4-hydroxycyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NC2CCC(O)CC2)c(=O)[nH]1
InChIInChI=1S/C9H14N4O3/c14-6-3-1-5(2-4-6)10-7-8(15)11-9(16)13-12-7/h5-6,14H,1-4H2,(H,10,12)(H2,11,13,15,16)
InChIKeyGJQVOYYROYREHB-UHFFFAOYSA-N
XLogP-0.83
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[(4-hydroxycyclohexyl)amino]-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-[(4-hydroxycyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(4-hydroxycyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 43410687) is 6-[(4-hydroxycyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(4-hydroxycyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(4-hydroxycyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NC2CCC(O)CC2)c(=O)[nH]1.
What is the InChIKey of 6-[(4-hydroxycyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is GJQVOYYROYREHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c14-6-3-1-5(2-4-6)10-7-8(15)11-9(16)13-12-7/h5-6,14H,1-4H2,(H,10,12)(H2,11,13,15,16).
What are the key properties of 6-[(4-hydroxycyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(4-hydroxycyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 226.24 g/mol, XLogP of -0.83, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxycyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).