1-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-diazinan-2-one

C10H16N4O — CID 103012757

IUPAC1-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-diazinan-2-one
SMILESCn1nccc1CCN1CCCNC1=O
InChIInChI=1S/C10H16N4O/c1-13-9(3-6-12-13)4-8-14-7-2-5-11-10(14)15/h3,6H,2,4-5,7-8H2,1H3,(H,11,15)
InChIKeyXSYGCEHPXBHPPC-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.38
Rot. Bonds3

About 1-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-diazinan-2-one

1-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-diazinan-2-one (PubChem CID 103012757) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-diazinan-2-one
PubChem CID103012757
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-diazinan-2-one
SMILESCn1nccc1CCN1CCCNC1=O
InChIInChI=1S/C10H16N4O/c1-13-9(3-6-12-13)4-8-14-7-2-5-11-10(14)15/h3,6H,2,4-5,7-8H2,1H3,(H,11,15)
InChIKeyXSYGCEHPXBHPPC-UHFFFAOYSA-N
XLogP0.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methylpyrazol-3-yl)ethyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 103015506
1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 82606001
1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-imine
CID 103007506
1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinan-2-one
CID 106409993
1-[2-(cyclopenten-1-yl)ethyl]-1,3-diazinan-2-one
CID 106172173
1-(2-methylsulfanylethyl)-1,3-diazinan-2-one
CID 115371185
4-(2-methylpyrazol-3-yl)butanal
CID 103014880
1-[1-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945833
2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103006430
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-diazinan-2-one
CID 140927699
3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 107104005
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylimidazol-2-one
CID 103015554

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-diazinan-2-one (CID 103012757) is 1-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-diazinan-2-one is Cn1nccc1CCN1CCCNC1=O.
What is the InChIKey of 1-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-diazinan-2-one?
The InChIKey is XSYGCEHPXBHPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13-9(3-6-12-13)4-8-14-7-2-5-11-10(14)15/h3,6H,2,4-5,7-8H2,1H3,(H,11,15).
What are the key properties of 1-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-diazinan-2-one?
1-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-diazinan-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-diazinan-2-one is sourced from PubChem (CID 103012757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).