1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane

C11H20N4O2 — CID 171565064

IUPAC1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane
SMILESCC.CN1C=C(N2CCC(=O)NC2=O)CN1C
InChIInChI=1S/C9H14N4O2.C2H6/c1-11-5-7(6-12(11)2)13-4-3-8(14)10-9(13)15;1-2/h5H,3-4,6H2,1-2H3,(H,10,14,15);1-2H3
InChIKeyPWRKZTREKONKEB-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.59
Rot. Bonds1

About 1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane

1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane (PubChem CID 171565064) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane.

Molecular Properties

Compound Name1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane
PubChem CID171565064
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane
SMILESCC.CN1C=C(N2CCC(=O)NC2=O)CN1C
InChIInChI=1S/C9H14N4O2.C2H6/c1-11-5-7(6-12(11)2)13-4-3-8(14)10-9(13)15;1-2/h5H,3-4,6H2,1-2H3,(H,10,14,15);1-2H3
InChIKeyPWRKZTREKONKEB-UHFFFAOYSA-N
XLogP0.59
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane?
The IUPAC name of 1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane (CID 171565064) is 1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane.
What is the SMILES notation for 1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane?
The canonical SMILES for 1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane is CC.CN1C=C(N2CCC(=O)NC2=O)CN1C.
What is the InChIKey of 1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane?
The InChIKey is PWRKZTREKONKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2.C2H6/c1-11-5-7(6-12(11)2)13-4-3-8(14)10-9(13)15;1-2/h5H,3-4,6H2,1-2H3,(H,10,14,15);1-2H3.
What are the key properties of 1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane?
1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane has a molecular weight of 240.31 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethyl-3H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane is sourced from PubChem (CID 171565064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).