4-amino-6-(diethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide

C8H15N7O — CID 5299850

IUPAC4-amino-6-(diethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide
SMILESCCN(CC)c1nc(N)nc(C(N)=NO)n1
InChIInChI=1S/C8H15N7O/c1-3-15(4-2)8-12-6(5(9)14-16)11-7(10)13-8/h16H,3-4H2,1-2H3,(H2,9,14)(H2,10,11,12,13)
InChIKeyUNSKAVWLYFAJJR-UHFFFAOYSA-N
MW225.26 g/mol
LogP-0.61
Rot. Bonds4

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

4-amino-6-(diethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide (PubChem CID 5299850) has the molecular formula C8H15N7O and a molecular weight of 225.26 g/mol. Its IUPAC name is 4-amino-6-(diethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide.

Molecular Properties

Compound Name4-amino-6-(diethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide
PubChem CID5299850
Molecular FormulaC8H15N7O
Molecular Weight225.26 g/mol
Exact Mass225.13
IUPAC Name4-amino-6-(diethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide
SMILESCCN(CC)c1nc(N)nc(C(N)=NO)n1
InChIInChI=1S/C8H15N7O/c1-3-15(4-2)8-12-6(5(9)14-16)11-7(10)13-8/h16H,3-4H2,1-2H3,(H2,9,14)(H2,10,11,12,13)
InChIKeyUNSKAVWLYFAJJR-UHFFFAOYSA-N
XLogP-0.61
TPSA126.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
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-amino-6-(diethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide?
The IUPAC name of 4-amino-6-(diethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide (CID 5299850) is 4-amino-6-(diethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide.
What is the SMILES notation for 4-amino-6-(diethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide?
The canonical SMILES for 4-amino-6-(diethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide is CCN(CC)c1nc(N)nc(C(N)=NO)n1.
What is the InChIKey of 4-amino-6-(diethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide?
The InChIKey is UNSKAVWLYFAJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N7O/c1-3-15(4-2)8-12-6(5(9)14-16)11-7(10)13-8/h16H,3-4H2,1-2H3,(H2,9,14)(H2,10,11,12,13).
What are the key properties of 4-amino-6-(diethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide?
4-amino-6-(diethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide has a molecular weight of 225.26 g/mol, XLogP of -0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(diethylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide is sourced from PubChem (CID 5299850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).