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

C7H8N4O2 — CID 138987766

IUPAC1-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cn[nH]c2)C(=O)N1
InChIInChI=1S/C7H8N4O2/c12-6-1-2-11(7(13)10-6)5-3-8-9-4-5/h3-4H,1-2H2,(H,8,9)(H,10,12,13)
InChIKeyIMCRUYKFWKFYJO-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.14
Rot. Bonds1

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

1-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione (PubChem CID 138987766) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione
PubChem CID138987766
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name1-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cn[nH]c2)C(=O)N1
InChIInChI=1S/C7H8N4O2/c12-6-1-2-11(7(13)10-6)5-3-8-9-4-5/h3-4H,1-2H2,(H,8,9)(H,10,12,13)
InChIKeyIMCRUYKFWKFYJO-UHFFFAOYSA-N
XLogP-0.14
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-2,4-dioxo-6-(1H-pyrazol-4-ylamino)pyrimidine-5-carbonitrile
CID 37705238
1-(2-morpholin-4-ylpropyl)-3-(1H-pyrazol-4-yl)urea
CID 53503374
1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)urea
CID 53503098
N-methyl-2-[4-(1H-pyrazol-4-ylcarbamoylamino)piperidin-1-yl]acetamide
CID 53503350
1-[2-(dimethylamino)propyl]-3-(1H-pyrazol-4-yl)urea
CID 53505344
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 71893159
1-(3-fluoropropyl)-3-(1H-pyrazol-4-yl)urea
CID 130693078
1-methyl-3-(1H-pyrazol-4-yl)urea
CID 20784637
N-(1H-pyrazol-4-yl)morpholine-4-carboxamide
CID 20784954
N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 20784955
N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
CID 20784959
1,1-dimethyl-3-(1H-pyrazol-4-yl)urea
CID 22478018

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione (CID 138987766) is 1-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione is O=C1CCN(c2cn[nH]c2)C(=O)N1.
What is the InChIKey of 1-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione?
The InChIKey is IMCRUYKFWKFYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c12-6-1-2-11(7(13)10-6)5-3-8-9-4-5/h3-4H,1-2H2,(H,8,9)(H,10,12,13).
What are the key properties of 1-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione?
1-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione has a molecular weight of 180.17 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 138987766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).