2,2-dimethyl-1-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one

C12H15N3O — CID 143854115

IUPAC2,2-dimethyl-1-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one
SMILESCc1cnc2[nH]cc(C(=O)C(C)(C)C)c2n1
InChIInChI=1S/C12H15N3O/c1-7-5-13-11-9(15-7)8(6-14-11)10(16)12(2,3)4/h5-6H,1-4H3,(H,13,14)
InChIKeyAHGDRSLCNXJXSP-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.50
Rot. Bonds1

About 2,2-dimethyl-1-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one

2,2-dimethyl-1-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one (PubChem CID 143854115) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one
PubChem CID143854115
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2,2-dimethyl-1-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one
SMILESCc1cnc2[nH]cc(C(=O)C(C)(C)C)c2n1
InChIInChI=1S/C12H15N3O/c1-7-5-13-11-9(15-7)8(6-14-11)10(16)12(2,3)4/h5-6H,1-4H3,(H,13,14)
InChIKeyAHGDRSLCNXJXSP-UHFFFAOYSA-N
XLogP2.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one (CID 143854115) is 2,2-dimethyl-1-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one is Cc1cnc2[nH]cc(C(=O)C(C)(C)C)c2n1.
What is the InChIKey of 2,2-dimethyl-1-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one?
The InChIKey is AHGDRSLCNXJXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-7-5-13-11-9(15-7)8(6-14-11)10(16)12(2,3)4/h5-6H,1-4H3,(H,13,14).
What are the key properties of 2,2-dimethyl-1-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one?
2,2-dimethyl-1-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one has a molecular weight of 217.27 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one is sourced from PubChem (CID 143854115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).