1,3-dibutyl-6-hydrazinylidene-1,3-diazinane-2,4-dione

C12H22N4O2 — CID 131857315

IUPAC1,3-dibutyl-6-hydrazinylidene-1,3-diazinane-2,4-dione
SMILESCCCCN1C(=O)CC(=NN)N(CCCC)C1=O
InChIInChI=1S/C12H22N4O2/c1-3-5-7-15-10(14-13)9-11(17)16(12(15)18)8-6-4-2/h3-9,13H2,1-2H3
InChIKeyQEJCAEDACMKQKN-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.51
Rot. Bonds6

About 1,3-dibutyl-6-hydrazinylidene-1,3-diazinane-2,4-dione

1,3-dibutyl-6-hydrazinylidene-1,3-diazinane-2,4-dione (PubChem CID 131857315) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1,3-dibutyl-6-hydrazinylidene-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1,3-dibutyl-6-hydrazinylidene-1,3-diazinane-2,4-dione
PubChem CID131857315
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name1,3-dibutyl-6-hydrazinylidene-1,3-diazinane-2,4-dione
SMILESCCCCN1C(=O)CC(=NN)N(CCCC)C1=O
InChIInChI=1S/C12H22N4O2/c1-3-5-7-15-10(14-13)9-11(17)16(12(15)18)8-6-4-2/h3-9,13H2,1-2H3
InChIKeyQEJCAEDACMKQKN-UHFFFAOYSA-N
XLogP1.51
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

1-Butyl-6-imino-1,3-diazinane-2,4-dione
CID 134870171
1-Ethyl-3-methyl-6-methylimino-1,3-diazinane-2,4-dione
CID 145918450
(6E)-6-hydrazinylidene-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 21117207
6-Hydrazinylidene-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 73743655
(6Z)-6-hydrazinylidene-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 124584207
1-(Cyclopropylmethyl)-6-hydrazinylidene-1,3-diazinane-2,4-dione
CID 131858088
(6Z)-6-hydrazinylidene-3-methyl-1,3-diazinane-2,4-dione
CID 136955206
6-Hydrazinylidene-3-methyl-1,3-diazinane-2,4-dione
CID 137242029
(6E)-6-hydrazinylidene-3-methyl-1,3-diazinane-2,4-dione
CID 137272891
(Z)-1-Butyl-6-hydrazono-3-propyldihydropyrimidine-2,4(1H,3H)-dione
CID 146012962
(6E)-6-hydrazinylidene-3-methyl-1-(2-methylpropyl)-1,3-diazinane-2,4-dione
CID 172933246

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-6-hydrazinylidene-1,3-diazinane-2,4-dione?
The IUPAC name of 1,3-dibutyl-6-hydrazinylidene-1,3-diazinane-2,4-dione (CID 131857315) is 1,3-dibutyl-6-hydrazinylidene-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1,3-dibutyl-6-hydrazinylidene-1,3-diazinane-2,4-dione?
The canonical SMILES for 1,3-dibutyl-6-hydrazinylidene-1,3-diazinane-2,4-dione is CCCCN1C(=O)CC(=NN)N(CCCC)C1=O.
What is the InChIKey of 1,3-dibutyl-6-hydrazinylidene-1,3-diazinane-2,4-dione?
The InChIKey is QEJCAEDACMKQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-5-7-15-10(14-13)9-11(17)16(12(15)18)8-6-4-2/h3-9,13H2,1-2H3.
What are the key properties of 1,3-dibutyl-6-hydrazinylidene-1,3-diazinane-2,4-dione?
1,3-dibutyl-6-hydrazinylidene-1,3-diazinane-2,4-dione has a molecular weight of 254.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-6-hydrazinylidene-1,3-diazinane-2,4-dione is sourced from PubChem (CID 131857315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).