3-prop-2-enoxyprop-1-ene;1,3,5-triazine-2,4,6-triamine

C9H16N6O — CID 66788334

IUPAC3-prop-2-enoxyprop-1-ene;1,3,5-triazine-2,4,6-triamine
SMILESC=CCOCC=C.Nc1nc(N)nc(N)n1
InChIInChI=1S/C6H10O.C3H6N6/c1-3-5-7-6-4-2;4-1-7-2(5)9-3(6)8-1/h3-4H,1-2,5-6H2;(H6,4,5,6,7,8,9)
InChIKeyDJSRYUOEHKOPJN-UHFFFAOYSA-N
MW224.27 g/mol
LogP-0.01
Rot. Bonds4

About 3-prop-2-enoxyprop-1-ene;1,3,5-triazine-2,4,6-triamine

3-prop-2-enoxyprop-1-ene;1,3,5-triazine-2,4,6-triamine (PubChem CID 66788334) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 3-prop-2-enoxyprop-1-ene;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name3-prop-2-enoxyprop-1-ene;1,3,5-triazine-2,4,6-triamine
PubChem CID66788334
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name3-prop-2-enoxyprop-1-ene;1,3,5-triazine-2,4,6-triamine
SMILESC=CCOCC=C.Nc1nc(N)nc(N)n1
InChIInChI=1S/C6H10O.C3H6N6/c1-3-5-7-6-4-2;4-1-7-2(5)9-3(6)8-1/h3-4H,1-2,5-6H2;(H6,4,5,6,7,8,9)
InChIKeyDJSRYUOEHKOPJN-UHFFFAOYSA-N
XLogP-0.01
TPSA125.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-0.01
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxyprop-1-ene;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 3-prop-2-enoxyprop-1-ene;1,3,5-triazine-2,4,6-triamine (CID 66788334) is 3-prop-2-enoxyprop-1-ene;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 3-prop-2-enoxyprop-1-ene;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 3-prop-2-enoxyprop-1-ene;1,3,5-triazine-2,4,6-triamine is C=CCOCC=C.Nc1nc(N)nc(N)n1.
What is the InChIKey of 3-prop-2-enoxyprop-1-ene;1,3,5-triazine-2,4,6-triamine?
The InChIKey is DJSRYUOEHKOPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C3H6N6/c1-3-5-7-6-4-2;4-1-7-2(5)9-3(6)8-1/h3-4H,1-2,5-6H2;(H6,4,5,6,7,8,9).
What are the key properties of 3-prop-2-enoxyprop-1-ene;1,3,5-triazine-2,4,6-triamine?
3-prop-2-enoxyprop-1-ene;1,3,5-triazine-2,4,6-triamine has a molecular weight of 224.27 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxyprop-1-ene;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 66788334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).