bis(3-methylpyrazin-2-yl)methanone

C11H10N4O — CID 69473088

IUPACbis(3-methylpyrazin-2-yl)methanone
SMILESCc1nccnc1C(=O)c1nccnc1C
InChIInChI=1S/C11H10N4O/c1-7-9(14-5-3-12-7)11(16)10-8(2)13-4-6-15-10/h3-6H,1-2H3
InChIKeyDHFVLAHERDHTHG-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.11
Rot. Bonds2

About bis(3-methylpyrazin-2-yl)methanone

bis(3-methylpyrazin-2-yl)methanone (PubChem CID 69473088) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is bis(3-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Namebis(3-methylpyrazin-2-yl)methanone
PubChem CID69473088
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Namebis(3-methylpyrazin-2-yl)methanone
SMILESCc1nccnc1C(=O)c1nccnc1C
InChIInChI=1S/C11H10N4O/c1-7-9(14-5-3-12-7)11(16)10-8(2)13-4-6-15-10/h3-6H,1-2H3
InChIKeyDHFVLAHERDHTHG-UHFFFAOYSA-N
XLogP1.11
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(3-methylpyrazin-2-yl)methanone?
The IUPAC name of bis(3-methylpyrazin-2-yl)methanone (CID 69473088) is bis(3-methylpyrazin-2-yl)methanone.
What is the SMILES notation for bis(3-methylpyrazin-2-yl)methanone?
The canonical SMILES for bis(3-methylpyrazin-2-yl)methanone is Cc1nccnc1C(=O)c1nccnc1C.
What is the InChIKey of bis(3-methylpyrazin-2-yl)methanone?
The InChIKey is DHFVLAHERDHTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-7-9(14-5-3-12-7)11(16)10-8(2)13-4-6-15-10/h3-6H,1-2H3.
What are the key properties of bis(3-methylpyrazin-2-yl)methanone?
bis(3-methylpyrazin-2-yl)methanone has a molecular weight of 214.23 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 69473088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).