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

C10H19N7O — CID 135772055

IUPAC4-amino-6-(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide
SMILESCCCN(CCC)c1nc(N)nc(/C(N)=N/O)n1
InChIInChI=1S/C10H19N7O/c1-3-5-17(6-4-2)10-14-8(7(11)16-18)13-9(12)15-10/h18H,3-6H2,1-2H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyLGTAOEMYXOBFPP-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.17
Rot. Bonds6

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

4-amino-6-(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide (PubChem CID 135772055) has the molecular formula C10H19N7O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-amino-6-(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide.

Molecular Properties

Compound Name4-amino-6-(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide
PubChem CID135772055
Molecular FormulaC10H19N7O
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name4-amino-6-(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide
SMILESCCCN(CCC)c1nc(N)nc(/C(N)=N/O)n1
InChIInChI=1S/C10H19N7O/c1-3-5-17(6-4-2)10-14-8(7(11)16-18)13-9(12)15-10/h18H,3-6H2,1-2H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyLGTAOEMYXOBFPP-UHFFFAOYSA-N
XLogP0.17
TPSA126.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.17
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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Related Compounds

CID 63868172
CID 63868172
CID 135544634
CID 135544634
CID 135517567
CID 135517567
CID 135517604
CID 135517604
CID 5299858
CID 5299858
CID 3237464
CID 3237464
CID 3241403
CID 3241403
CID 4012150
CID 4012150
CID 56790699
CID 56790699
CID 135517568
CID 135517568
CID 135517608
CID 135517608
CID 3489807
CID 3489807

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide?
The IUPAC name of 4-amino-6-(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide (CID 135772055) is 4-amino-6-(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide.
What is the SMILES notation for 4-amino-6-(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide?
The canonical SMILES for 4-amino-6-(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide is CCCN(CCC)c1nc(N)nc(/C(N)=N/O)n1.
What is the InChIKey of 4-amino-6-(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide?
The InChIKey is LGTAOEMYXOBFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N7O/c1-3-5-17(6-4-2)10-14-8(7(11)16-18)13-9(12)15-10/h18H,3-6H2,1-2H3,(H2,11,16)(H2,12,13,14,15).
What are the key properties of 4-amino-6-(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide?
4-amino-6-(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide has a molecular weight of 253.31 g/mol, XLogP of 0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide is sourced from PubChem (CID 135772055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).