1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-triamine

C12H24N6 — CID 19871398

IUPAC1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-triamine
SMILESC=CCN1C(N)N(CC=C)C(N)N(CC=C)C1N
InChIInChI=1S/C12H24N6/c1-4-7-16-10(13)17(8-5-2)12(15)18(9-6-3)11(16)14/h4-6,10-12H,1-3,7-9,13-15H2
InChIKeyWNYHXAXDUUENSJ-UHFFFAOYSA-N
MW252.37 g/mol
LogP-0.81
Rot. Bonds6

About 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-triamine

1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-triamine (PubChem CID 19871398) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-triamine.

Molecular Properties

Compound Name1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-triamine
PubChem CID19871398
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-triamine
SMILESC=CCN1C(N)N(CC=C)C(N)N(CC=C)C1N
InChIInChI=1S/C12H24N6/c1-4-7-16-10(13)17(8-5-2)12(15)18(9-6-3)11(16)14/h4-6,10-12H,1-3,7-9,13-15H2
InChIKeyWNYHXAXDUUENSJ-UHFFFAOYSA-N
XLogP-0.81
TPSA87.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-triamine?
The IUPAC name of 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-triamine (CID 19871398) is 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-triamine.
What is the SMILES notation for 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-triamine?
The canonical SMILES for 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-triamine is C=CCN1C(N)N(CC=C)C(N)N(CC=C)C1N.
What is the InChIKey of 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-triamine?
The InChIKey is WNYHXAXDUUENSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-4-7-16-10(13)17(8-5-2)12(15)18(9-6-3)11(16)14/h4-6,10-12H,1-3,7-9,13-15H2.
What are the key properties of 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-triamine?
1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-triamine has a molecular weight of 252.37 g/mol, XLogP of -0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-triamine is sourced from PubChem (CID 19871398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).