3,5-dichloro-1-(cyclopropylmethyl)-6-methylpyrazin-2-one

C9H10Cl2N2O — CID 139392230

IUPAC3,5-dichloro-1-(cyclopropylmethyl)-6-methylpyrazin-2-one
SMILESCc1c(Cl)nc(Cl)c(=O)n1CC1CC1
InChIInChI=1S/C9H10Cl2N2O/c1-5-7(10)12-8(11)9(14)13(5)4-6-2-3-6/h6H,2-4H2,1H3
InChIKeyOXUVDICQERWLDB-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.27
Rot. Bonds2

About 3,5-dichloro-1-(cyclopropylmethyl)-6-methylpyrazin-2-one

3,5-dichloro-1-(cyclopropylmethyl)-6-methylpyrazin-2-one (PubChem CID 139392230) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 3,5-dichloro-1-(cyclopropylmethyl)-6-methylpyrazin-2-one.

Molecular Properties

Compound Name3,5-dichloro-1-(cyclopropylmethyl)-6-methylpyrazin-2-one
PubChem CID139392230
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name3,5-dichloro-1-(cyclopropylmethyl)-6-methylpyrazin-2-one
SMILESCc1c(Cl)nc(Cl)c(=O)n1CC1CC1
InChIInChI=1S/C9H10Cl2N2O/c1-5-7(10)12-8(11)9(14)13(5)4-6-2-3-6/h6H,2-4H2,1H3
InChIKeyOXUVDICQERWLDB-UHFFFAOYSA-N
XLogP2.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1-(cyclopropylmethyl)-6-methylpyrazin-2-one?
The IUPAC name of 3,5-dichloro-1-(cyclopropylmethyl)-6-methylpyrazin-2-one (CID 139392230) is 3,5-dichloro-1-(cyclopropylmethyl)-6-methylpyrazin-2-one.
What is the SMILES notation for 3,5-dichloro-1-(cyclopropylmethyl)-6-methylpyrazin-2-one?
The canonical SMILES for 3,5-dichloro-1-(cyclopropylmethyl)-6-methylpyrazin-2-one is Cc1c(Cl)nc(Cl)c(=O)n1CC1CC1.
What is the InChIKey of 3,5-dichloro-1-(cyclopropylmethyl)-6-methylpyrazin-2-one?
The InChIKey is OXUVDICQERWLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c1-5-7(10)12-8(11)9(14)13(5)4-6-2-3-6/h6H,2-4H2,1H3.
What are the key properties of 3,5-dichloro-1-(cyclopropylmethyl)-6-methylpyrazin-2-one?
3,5-dichloro-1-(cyclopropylmethyl)-6-methylpyrazin-2-one has a molecular weight of 233.10 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-(cyclopropylmethyl)-6-methylpyrazin-2-one is sourced from PubChem (CID 139392230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).