1-(benzylideneamino)-6-hydrazinyl-3-propan-2-yl-1,3,5-triazinane-2,4-dione

C13H18N6O2 — CID 154222239

IUPAC1-(benzylideneamino)-6-hydrazinyl-3-propan-2-yl-1,3,5-triazinane-2,4-dione
SMILESCC(C)N1C(=O)NC(NN)N(N=Cc2ccccc2)C1=O
InChIInChI=1S/C13H18N6O2/c1-9(2)18-12(20)16-11(17-14)19(13(18)21)15-8-10-6-4-3-5-7-10/h3-9,11,17H,14H2,1-2H3,(H,16,20)
InChIKeyVRAYSTCEGWOGJJ-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.62
Rot. Bonds4

About 1-(benzylideneamino)-6-hydrazinyl-3-propan-2-yl-1,3,5-triazinane-2,4-dione

1-(benzylideneamino)-6-hydrazinyl-3-propan-2-yl-1,3,5-triazinane-2,4-dione (PubChem CID 154222239) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-(benzylideneamino)-6-hydrazinyl-3-propan-2-yl-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1-(benzylideneamino)-6-hydrazinyl-3-propan-2-yl-1,3,5-triazinane-2,4-dione
PubChem CID154222239
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name1-(benzylideneamino)-6-hydrazinyl-3-propan-2-yl-1,3,5-triazinane-2,4-dione
SMILESCC(C)N1C(=O)NC(NN)N(N=Cc2ccccc2)C1=O
InChIInChI=1S/C13H18N6O2/c1-9(2)18-12(20)16-11(17-14)19(13(18)21)15-8-10-6-4-3-5-7-10/h3-9,11,17H,14H2,1-2H3,(H,16,20)
InChIKeyVRAYSTCEGWOGJJ-UHFFFAOYSA-N
XLogP0.62
TPSA103.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_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 1-(benzylideneamino)-6-hydrazinyl-3-propan-2-yl-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1-(benzylideneamino)-6-hydrazinyl-3-propan-2-yl-1,3,5-triazinane-2,4-dione (CID 154222239) is 1-(benzylideneamino)-6-hydrazinyl-3-propan-2-yl-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1-(benzylideneamino)-6-hydrazinyl-3-propan-2-yl-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1-(benzylideneamino)-6-hydrazinyl-3-propan-2-yl-1,3,5-triazinane-2,4-dione is CC(C)N1C(=O)NC(NN)N(N=Cc2ccccc2)C1=O.
What is the InChIKey of 1-(benzylideneamino)-6-hydrazinyl-3-propan-2-yl-1,3,5-triazinane-2,4-dione?
The InChIKey is VRAYSTCEGWOGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-9(2)18-12(20)16-11(17-14)19(13(18)21)15-8-10-6-4-3-5-7-10/h3-9,11,17H,14H2,1-2H3,(H,16,20).
What are the key properties of 1-(benzylideneamino)-6-hydrazinyl-3-propan-2-yl-1,3,5-triazinane-2,4-dione?
1-(benzylideneamino)-6-hydrazinyl-3-propan-2-yl-1,3,5-triazinane-2,4-dione has a molecular weight of 290.33 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylideneamino)-6-hydrazinyl-3-propan-2-yl-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 154222239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).