3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanimidamide

C13H24N6O — CID 105362344

IUPAC3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)c1nnc(CC)c(CC)n1
InChIInChI=1S/C13H24N6O/c1-4-10-11(5-2)17-18-13(16-10)19(8-9-20-3)7-6-12(14)15/h4-9H2,1-3H3,(H3,14,15)
InChIKeyBABSKNHPOAFQQI-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.78
Rot. Bonds9

About 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanimidamide

3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanimidamide (PubChem CID 105362344) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanimidamide
PubChem CID105362344
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)c1nnc(CC)c(CC)n1
InChIInChI=1S/C13H24N6O/c1-4-10-11(5-2)17-18-13(16-10)19(8-9-20-3)7-6-12(14)15/h4-9H2,1-3H3,(H3,14,15)
InChIKeyBABSKNHPOAFQQI-UHFFFAOYSA-N
XLogP0.78
TPSA101.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanimidamide?
The IUPAC name of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanimidamide (CID 105362344) is 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanimidamide.
What is the SMILES notation for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanimidamide?
The canonical SMILES for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCOC)c1nnc(CC)c(CC)n1.
What is the InChIKey of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanimidamide?
The InChIKey is BABSKNHPOAFQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-4-10-11(5-2)17-18-13(16-10)19(8-9-20-3)7-6-12(14)15/h4-9H2,1-3H3,(H3,14,15).
What are the key properties of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanimidamide?
3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanimidamide has a molecular weight of 280.38 g/mol, XLogP of 0.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanimidamide is sourced from PubChem (CID 105362344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).