3,6-di(propan-2-yl)-1H-pyrazin-2-one

C10H16N2O — CID 12957655

IUPAC3,6-di(propan-2-yl)-1H-pyrazin-2-one
SMILESCC(C)c1cnc(C(C)C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O/c1-6(2)8-5-11-9(7(3)4)10(13)12-8/h5-7H,1-4H3,(H,12,13)
InChIKeyXQELNPFTJBJNDQ-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.02
Rot. Bonds2

About 3,6-di(propan-2-yl)-1H-pyrazin-2-one

3,6-di(propan-2-yl)-1H-pyrazin-2-one (PubChem CID 12957655) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3,6-di(propan-2-yl)-1H-pyrazin-2-one
PubChem CID12957655
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3,6-di(propan-2-yl)-1H-pyrazin-2-one
SMILESCC(C)c1cnc(C(C)C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O/c1-6(2)8-5-11-9(7(3)4)10(13)12-8/h5-7H,1-4H3,(H,12,13)
InChIKeyXQELNPFTJBJNDQ-UHFFFAOYSA-N
XLogP2.02
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)-1H-pyrazin-2-one?
The IUPAC name of 3,6-di(propan-2-yl)-1H-pyrazin-2-one (CID 12957655) is 3,6-di(propan-2-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 3,6-di(propan-2-yl)-1H-pyrazin-2-one?
The canonical SMILES for 3,6-di(propan-2-yl)-1H-pyrazin-2-one is CC(C)c1cnc(C(C)C)c(=O)[nH]1.
What is the InChIKey of 3,6-di(propan-2-yl)-1H-pyrazin-2-one?
The InChIKey is XQELNPFTJBJNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6(2)8-5-11-9(7(3)4)10(13)12-8/h5-7H,1-4H3,(H,12,13).
What are the key properties of 3,6-di(propan-2-yl)-1H-pyrazin-2-one?
3,6-di(propan-2-yl)-1H-pyrazin-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 12957655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).