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

C7H10N4O2 — CID 171565302

IUPAC1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(C2=CNNC2)C(=O)N1
InChIInChI=1S/C7H10N4O2/c12-6-1-2-11(7(13)10-6)5-3-8-9-4-5/h3,8-9H,1-2,4H2,(H,10,12,13)
InChIKeyZJLBOPZXMDTXKO-UHFFFAOYSA-N
MW182.18 g/mol
LogP-1.12
Rot. Bonds1

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

1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione (PubChem CID 171565302) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione
PubChem CID171565302
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(C2=CNNC2)C(=O)N1
InChIInChI=1S/C7H10N4O2/c12-6-1-2-11(7(13)10-6)5-3-8-9-4-5/h3,8-9H,1-2,4H2,(H,10,12,13)
InChIKeyZJLBOPZXMDTXKO-UHFFFAOYSA-N
XLogP-1.12
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.12
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?
The IUPAC name of 1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione (CID 171565302) is 1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione is 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?
The InChIKey is ZJLBOPZXMDTXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c12-6-1-2-11(7(13)10-6)5-3-8-9-4-5/h3,8-9H,1-2,4H2,(H,10,12,13).
What are the key properties of 1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione?
1-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione has a molecular weight of 182.18 g/mol, XLogP of -1.12, 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 is sourced from PubChem (CID 171565302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).