N'-hydroxy-4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboximidamide

C12H19N7O3 — CID 135517571

IUPACN'-hydroxy-4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboximidamide
SMILESN/C(=N/O)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H19N7O3/c13-9(17-20)10-14-11(18-1-5-21-6-2-18)16-12(15-10)19-3-7-22-8-4-19/h20H,1-8H2,(H2,13,17)
InChIKeyCUVYIRKSQLNWRG-UHFFFAOYSA-N
MW309.33 g/mol
LogP-1.36
Rot. Bonds3

About N'-hydroxy-4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboximidamide

N'-hydroxy-4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboximidamide (PubChem CID 135517571) has the molecular formula C12H19N7O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N'-hydroxy-4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboximidamide
PubChem CID135517571
Molecular FormulaC12H19N7O3
Molecular Weight309.33 g/mol
Exact Mass309.15
IUPAC NameN'-hydroxy-4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboximidamide
SMILESN/C(=N/O)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H19N7O3/c13-9(17-20)10-14-11(18-1-5-21-6-2-18)16-12(15-10)19-3-7-22-8-4-19/h20H,1-8H2,(H2,13,17)
InChIKeyCUVYIRKSQLNWRG-UHFFFAOYSA-N
XLogP-1.36
TPSA122.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-4,6-dimorpholin-4-yl-1,3,5-triazine-2-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

4-(tert-butylamino)-N'-hydroxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide
CID 136821405
4-(4,6-dimethyl-1,3,5-triazin-2-yl)morpholine;ethane
CID 159951324
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 1480862
N'-hydroxy-9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboximidamide
CID 162379149
4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbothioamide
CID 110178408
4-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 45133473
[1-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
CID 80757087
(4-carbamimidoylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl) carbamimidothioate
CID 134123670
N'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide
CID 59556629
4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine
CID 3927094
4-[4-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58508286

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboximidamide (CID 135517571) is N'-hydroxy-4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboximidamide is N/C(=N/O)c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N'-hydroxy-4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboximidamide?
The InChIKey is CUVYIRKSQLNWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O3/c13-9(17-20)10-14-11(18-1-5-21-6-2-18)16-12(15-10)19-3-7-22-8-4-19/h20H,1-8H2,(H2,13,17).
What are the key properties of N'-hydroxy-4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboximidamide?
N'-hydroxy-4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboximidamide has a molecular weight of 309.33 g/mol, XLogP of -1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboximidamide is sourced from PubChem (CID 135517571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).