1-(3-aminopyrazin-2-yl)-2,2-dimethylpropan-1-one

C9H13N3O — CID 59479802

IUPAC1-(3-aminopyrazin-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1nccnc1N
InChIInChI=1S/C9H13N3O/c1-9(2,3)7(13)6-8(10)12-5-4-11-6/h4-5H,1-3H3,(H2,10,12)
InChIKeyNLBREJNZPQQGCS-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.29
Rot. Bonds1

About 1-(3-aminopyrazin-2-yl)-2,2-dimethylpropan-1-one

1-(3-aminopyrazin-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 59479802) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(3-aminopyrazin-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3-aminopyrazin-2-yl)-2,2-dimethylpropan-1-one
PubChem CID59479802
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-(3-aminopyrazin-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1nccnc1N
InChIInChI=1S/C9H13N3O/c1-9(2,3)7(13)6-8(10)12-5-4-11-6/h4-5H,1-3H3,(H2,10,12)
InChIKeyNLBREJNZPQQGCS-UHFFFAOYSA-N
XLogP1.29
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyrazin-2-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3-aminopyrazin-2-yl)-2,2-dimethylpropan-1-one (CID 59479802) is 1-(3-aminopyrazin-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3-aminopyrazin-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3-aminopyrazin-2-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1nccnc1N.
What is the InChIKey of 1-(3-aminopyrazin-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is NLBREJNZPQQGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-9(2,3)7(13)6-8(10)12-5-4-11-6/h4-5H,1-3H3,(H2,10,12).
What are the key properties of 1-(3-aminopyrazin-2-yl)-2,2-dimethylpropan-1-one?
1-(3-aminopyrazin-2-yl)-2,2-dimethylpropan-1-one has a molecular weight of 179.22 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyrazin-2-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 59479802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).