2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine

C12H22N6O — CID 57377802

IUPAC2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
SMILESC=CCONc1nc(NCCC)nc(NCCC)n1
InChIInChI=1S/C12H22N6O/c1-4-7-13-10-15-11(14-8-5-2)17-12(16-10)18-19-9-6-3/h6H,3-5,7-9H2,1-2H3,(H3,13,14,15,16,17,18)
InChIKeyYDMNMZIIXFTGIQ-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.04
Rot. Bonds10

About 2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine

2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 57377802) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
PubChem CID57377802
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
SMILESC=CCONc1nc(NCCC)nc(NCCC)n1
InChIInChI=1S/C12H22N6O/c1-4-7-13-10-15-11(14-8-5-2)17-12(16-10)18-19-9-6-3/h6H,3-5,7-9H2,1-2H3,(H3,13,14,15,16,17,18)
InChIKeyYDMNMZIIXFTGIQ-UHFFFAOYSA-N
XLogP2.04
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine (CID 57377802) is 2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine is C=CCONc1nc(NCCC)nc(NCCC)n1.
What is the InChIKey of 2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is YDMNMZIIXFTGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-4-7-13-10-15-11(14-8-5-2)17-12(16-10)18-19-9-6-3/h6H,3-5,7-9H2,1-2H3,(H3,13,14,15,16,17,18).
What are the key properties of 2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 266.35 g/mol, XLogP of 2.04, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 57377802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).