4,6-bis(dimethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide

C8H15N7O — CID 135517608

IUPAC4,6-bis(dimethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide
SMILESCN(C)c1nc(/C(N)=N\O)nc(N(C)C)n1
InChIInChI=1S/C8H15N7O/c1-14(2)7-10-6(5(9)13-16)11-8(12-7)15(3)4/h16H,1-4H3,(H2,9,13)
InChIKeyAKZGSNROQJJMFT-UHFFFAOYSA-N
MW225.26 g/mol
LogP-0.90
Rot. Bonds3

About 4,6-bis(dimethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide

4,6-bis(dimethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide (PubChem CID 135517608) has the molecular formula C8H15N7O and a molecular weight of 225.26 g/mol. Its IUPAC name is 4,6-bis(dimethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide.

Molecular Properties

Compound Name4,6-bis(dimethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide
PubChem CID135517608
Molecular FormulaC8H15N7O
Molecular Weight225.26 g/mol
Exact Mass225.13
IUPAC Name4,6-bis(dimethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide
SMILESCN(C)c1nc(/C(N)=N\O)nc(N(C)C)n1
InChIInChI=1S/C8H15N7O/c1-14(2)7-10-6(5(9)13-16)11-8(12-7)15(3)4/h16H,1-4H3,(H2,9,13)
InChIKeyAKZGSNROQJJMFT-UHFFFAOYSA-N
XLogP-0.90
TPSA103.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(dimethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide?
The IUPAC name of 4,6-bis(dimethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide (CID 135517608) is 4,6-bis(dimethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide.
What is the SMILES notation for 4,6-bis(dimethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide?
The canonical SMILES for 4,6-bis(dimethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide is CN(C)c1nc(/C(N)=N\O)nc(N(C)C)n1.
What is the InChIKey of 4,6-bis(dimethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide?
The InChIKey is AKZGSNROQJJMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N7O/c1-14(2)7-10-6(5(9)13-16)11-8(12-7)15(3)4/h16H,1-4H3,(H2,9,13).
What are the key properties of 4,6-bis(dimethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide?
4,6-bis(dimethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide has a molecular weight of 225.26 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(dimethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide is sourced from PubChem (CID 135517608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).