cyclopropyl-(5-methylpyrazin-2-yl)methanone

C9H10N2O — CID 118508128

IUPACcyclopropyl-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)C2CC2)cn1
InChIInChI=1S/C9H10N2O/c1-6-4-11-8(5-10-6)9(12)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyKTLNOCAGXPWIEG-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.38
Rot. Bonds2

About cyclopropyl-(5-methylpyrazin-2-yl)methanone

cyclopropyl-(5-methylpyrazin-2-yl)methanone (PubChem CID 118508128) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is cyclopropyl-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(5-methylpyrazin-2-yl)methanone
PubChem CID118508128
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Namecyclopropyl-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)C2CC2)cn1
InChIInChI=1S/C9H10N2O/c1-6-4-11-8(5-10-6)9(12)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyKTLNOCAGXPWIEG-UHFFFAOYSA-N
XLogP1.38
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of cyclopropyl-(5-methylpyrazin-2-yl)methanone (CID 118508128) is cyclopropyl-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for cyclopropyl-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for cyclopropyl-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)C2CC2)cn1.
What is the InChIKey of cyclopropyl-(5-methylpyrazin-2-yl)methanone?
The InChIKey is KTLNOCAGXPWIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-4-11-8(5-10-6)9(12)7-2-3-7/h4-5,7H,2-3H2,1H3.
What are the key properties of cyclopropyl-(5-methylpyrazin-2-yl)methanone?
cyclopropyl-(5-methylpyrazin-2-yl)methanone has a molecular weight of 162.19 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 118508128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).