1-(1H-pyrazol-5-yl)-1,3-diazinan-2-one

C7H10N4O — CID 45088881

IUPAC1-(1H-pyrazol-5-yl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1ccn[nH]1
InChIInChI=1S/C7H10N4O/c12-7-8-3-1-5-11(7)6-2-4-9-10-6/h2,4H,1,3,5H2,(H,8,12)(H,9,10)
InChIKeyCNSWEYOPMNZRMW-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.33
Rot. Bonds1

About 1-(1H-pyrazol-5-yl)-1,3-diazinan-2-one

1-(1H-pyrazol-5-yl)-1,3-diazinan-2-one (PubChem CID 45088881) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)-1,3-diazinan-2-one
PubChem CID45088881
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name1-(1H-pyrazol-5-yl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1ccn[nH]1
InChIInChI=1S/C7H10N4O/c12-7-8-3-1-5-11(7)6-2-4-9-10-6/h2,4H,1,3,5H2,(H,8,12)(H,9,10)
InChIKeyCNSWEYOPMNZRMW-UHFFFAOYSA-N
XLogP0.33
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)-1,3-diazinan-2-one?
The IUPAC name of 1-(1H-pyrazol-5-yl)-1,3-diazinan-2-one (CID 45088881) is 1-(1H-pyrazol-5-yl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(1H-pyrazol-5-yl)-1,3-diazinan-2-one is O=C1NCCCN1c1ccn[nH]1.
What is the InChIKey of 1-(1H-pyrazol-5-yl)-1,3-diazinan-2-one?
The InChIKey is CNSWEYOPMNZRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c12-7-8-3-1-5-11(7)6-2-4-9-10-6/h2,4H,1,3,5H2,(H,8,12)(H,9,10).
What are the key properties of 1-(1H-pyrazol-5-yl)-1,3-diazinan-2-one?
1-(1H-pyrazol-5-yl)-1,3-diazinan-2-one has a molecular weight of 166.18 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)-1,3-diazinan-2-one is sourced from PubChem (CID 45088881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).