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

C9H16N4O2 — CID 171565301

IUPAC1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane
SMILESCC.O=C1CCN(C2=CNNC2)C(=O)N1
InChIInChI=1S/C7H10N4O2.C2H6/c12-6-1-2-11(7(13)10-6)5-3-8-9-4-5;1-2/h3,8-9H,1-2,4H2,(H,10,12,13);1-2H3
InChIKeyBTIOZCHOARXARQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.10
Rot. Bonds1

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

1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane (PubChem CID 171565301) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane
PubChem CID171565301
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane
SMILESCC.O=C1CCN(C2=CNNC2)C(=O)N1
InChIInChI=1S/C7H10N4O2.C2H6/c12-6-1-2-11(7(13)10-6)5-3-8-9-4-5;1-2/h3,8-9H,1-2,4H2,(H,10,12,13);1-2H3
InChIKeyBTIOZCHOARXARQ-UHFFFAOYSA-N
XLogP-0.10
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane?
The IUPAC name of 1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane (CID 171565301) is 1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane.
What is the SMILES notation for 1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane?
The canonical SMILES for 1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane is CC.O=C1CCN(C2=CNNC2)C(=O)N1.
What is the InChIKey of 1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane?
The InChIKey is BTIOZCHOARXARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2.C2H6/c12-6-1-2-11(7(13)10-6)5-3-8-9-4-5;1-2/h3,8-9H,1-2,4H2,(H,10,12,13);1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane?
1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane has a molecular weight of 212.25 g/mol, XLogP of -0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione;ethane is sourced from PubChem (CID 171565301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).