6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one

C9H17N3O — CID 54225973

IUPAC6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one
SMILESCC(C)CC1N=C(N)CN(C)C1=O
InChIInChI=1S/C9H17N3O/c1-6(2)4-7-9(13)12(3)5-8(10)11-7/h6-7H,4-5H2,1-3H3,(H2,10,11)
InChIKeyQFWMWUGQDCTBQK-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.23
Rot. Bonds2

About 6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one

6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one (PubChem CID 54225973) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one.

Molecular Properties

Compound Name6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one
PubChem CID54225973
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one
SMILESCC(C)CC1N=C(N)CN(C)C1=O
InChIInChI=1S/C9H17N3O/c1-6(2)4-7-9(13)12(3)5-8(10)11-7/h6-7H,4-5H2,1-3H3,(H2,10,11)
InChIKeyQFWMWUGQDCTBQK-UHFFFAOYSA-N
XLogP0.23
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one?
The IUPAC name of 6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one (CID 54225973) is 6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one.
What is the SMILES notation for 6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one?
The canonical SMILES for 6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one is CC(C)CC1N=C(N)CN(C)C1=O.
What is the InChIKey of 6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one?
The InChIKey is QFWMWUGQDCTBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-6(2)4-7-9(13)12(3)5-8(10)11-7/h6-7H,4-5H2,1-3H3,(H2,10,11).
What are the key properties of 6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one?
6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one has a molecular weight of 183.25 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one is sourced from PubChem (CID 54225973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).