1H-pyrazole;1H-pyrimidin-2-one;urea

C8H12N6O2 — CID 69074073

IUPAC1H-pyrazole;1H-pyrimidin-2-one;urea
SMILESNC(N)=O.O=c1nccc[nH]1.c1cn[nH]c1
InChIInChI=1S/C4H4N2O.C3H4N2.CH4N2O/c7-4-5-2-1-3-6-4;1-2-4-5-3-1;2-1(3)4/h1-3H,(H,5,6,7);1-3H,(H,4,5);(H4,2,3,4)
InChIKeyGAAONRCIAKGAJZ-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.80
Rot. Bonds

About 1H-pyrazole;1H-pyrimidin-2-one;urea

1H-pyrazole;1H-pyrimidin-2-one;urea (PubChem CID 69074073) has the molecular formula C8H12N6O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1H-pyrazole;1H-pyrimidin-2-one;urea.

Molecular Properties

Compound Name1H-pyrazole;1H-pyrimidin-2-one;urea
PubChem CID69074073
Molecular FormulaC8H12N6O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name1H-pyrazole;1H-pyrimidin-2-one;urea
SMILESNC(N)=O.O=c1nccc[nH]1.c1cn[nH]c1
InChIInChI=1S/C4H4N2O.C3H4N2.CH4N2O/c7-4-5-2-1-3-6-4;1-2-4-5-3-1;2-1(3)4/h1-3H,(H,5,6,7);1-3H,(H,4,5);(H4,2,3,4)
InChIKeyGAAONRCIAKGAJZ-UHFFFAOYSA-N
XLogP-0.80
TPSA143.54 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole;1H-pyrimidin-2-one;urea?
The IUPAC name of 1H-pyrazole;1H-pyrimidin-2-one;urea (CID 69074073) is 1H-pyrazole;1H-pyrimidin-2-one;urea.
What is the SMILES notation for 1H-pyrazole;1H-pyrimidin-2-one;urea?
The canonical SMILES for 1H-pyrazole;1H-pyrimidin-2-one;urea is NC(N)=O.O=c1nccc[nH]1.c1cn[nH]c1.
What is the InChIKey of 1H-pyrazole;1H-pyrimidin-2-one;urea?
The InChIKey is GAAONRCIAKGAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O.C3H4N2.CH4N2O/c7-4-5-2-1-3-6-4;1-2-4-5-3-1;2-1(3)4/h1-3H,(H,5,6,7);1-3H,(H,4,5);(H4,2,3,4).
What are the key properties of 1H-pyrazole;1H-pyrimidin-2-one;urea?
1H-pyrazole;1H-pyrimidin-2-one;urea has a molecular weight of 224.22 g/mol, XLogP of -0.80, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole;1H-pyrimidin-2-one;urea is sourced from PubChem (CID 69074073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).