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

C11H20N6O2 — CID 135517670

IUPAC4-(dipropylamino)-N'-hydroxy-6-methoxy-1,3,5-triazine-2-carboximidamide
SMILESCCCN(CCC)c1nc(OC)nc(/C(N)=N\O)n1
InChIInChI=1S/C11H20N6O2/c1-4-6-17(7-5-2)10-13-9(8(12)16-18)14-11(15-10)19-3/h18H,4-7H2,1-3H3,(H2,12,16)
InChIKeyCASXBFLNBLDFJJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.60
Rot. Bonds7

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

4-(dipropylamino)-N'-hydroxy-6-methoxy-1,3,5-triazine-2-carboximidamide (PubChem CID 135517670) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(dipropylamino)-N'-hydroxy-6-methoxy-1,3,5-triazine-2-carboximidamide.

Molecular Properties

Compound Name4-(dipropylamino)-N'-hydroxy-6-methoxy-1,3,5-triazine-2-carboximidamide
PubChem CID135517670
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name4-(dipropylamino)-N'-hydroxy-6-methoxy-1,3,5-triazine-2-carboximidamide
SMILESCCCN(CCC)c1nc(OC)nc(/C(N)=N\O)n1
InChIInChI=1S/C11H20N6O2/c1-4-6-17(7-5-2)10-13-9(8(12)16-18)14-11(15-10)19-3/h18H,4-7H2,1-3H3,(H2,12,16)
InChIKeyCASXBFLNBLDFJJ-UHFFFAOYSA-N
XLogP0.60
TPSA109.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.60
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-(dipropylamino)-N'-hydroxy-6-methoxy-1,3,5-triazine-2-carboximidamide?
The IUPAC name of 4-(dipropylamino)-N'-hydroxy-6-methoxy-1,3,5-triazine-2-carboximidamide (CID 135517670) is 4-(dipropylamino)-N'-hydroxy-6-methoxy-1,3,5-triazine-2-carboximidamide.
What is the SMILES notation for 4-(dipropylamino)-N'-hydroxy-6-methoxy-1,3,5-triazine-2-carboximidamide?
The canonical SMILES for 4-(dipropylamino)-N'-hydroxy-6-methoxy-1,3,5-triazine-2-carboximidamide is CCCN(CCC)c1nc(OC)nc(/C(N)=N\O)n1.
What is the InChIKey of 4-(dipropylamino)-N'-hydroxy-6-methoxy-1,3,5-triazine-2-carboximidamide?
The InChIKey is CASXBFLNBLDFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-4-6-17(7-5-2)10-13-9(8(12)16-18)14-11(15-10)19-3/h18H,4-7H2,1-3H3,(H2,12,16).
What are the key properties of 4-(dipropylamino)-N'-hydroxy-6-methoxy-1,3,5-triazine-2-carboximidamide?
4-(dipropylamino)-N'-hydroxy-6-methoxy-1,3,5-triazine-2-carboximidamide has a molecular weight of 268.32 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-N'-hydroxy-6-methoxy-1,3,5-triazine-2-carboximidamide is sourced from PubChem (CID 135517670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).