7-butan-2-yl-3H-pyrazino[2,3-d]triazin-4-one

C9H11N5O — CID 167283718

IUPAC7-butan-2-yl-3H-pyrazino[2,3-d]triazin-4-one
SMILESCCC(C)c1cnc2c(=O)[nH]nnc2n1
InChIInChI=1S/C9H11N5O/c1-3-5(2)6-4-10-7-8(11-6)12-14-13-9(7)15/h4-5H,3H2,1-2H3,(H,11,12,13,15)
InChIKeyBSJXBFNZJUFEAO-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.62
Rot. Bonds2

About 7-butan-2-yl-3H-pyrazino[2,3-d]triazin-4-one

7-butan-2-yl-3H-pyrazino[2,3-d]triazin-4-one (PubChem CID 167283718) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 7-butan-2-yl-3H-pyrazino[2,3-d]triazin-4-one.

Molecular Properties

Compound Name7-butan-2-yl-3H-pyrazino[2,3-d]triazin-4-one
PubChem CID167283718
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name7-butan-2-yl-3H-pyrazino[2,3-d]triazin-4-one
SMILESCCC(C)c1cnc2c(=O)[nH]nnc2n1
InChIInChI=1S/C9H11N5O/c1-3-5(2)6-4-10-7-8(11-6)12-14-13-9(7)15/h4-5H,3H2,1-2H3,(H,11,12,13,15)
InChIKeyBSJXBFNZJUFEAO-UHFFFAOYSA-N
XLogP0.62
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-3H-pyrazino[2,3-d]triazin-4-one?
The IUPAC name of 7-butan-2-yl-3H-pyrazino[2,3-d]triazin-4-one (CID 167283718) is 7-butan-2-yl-3H-pyrazino[2,3-d]triazin-4-one.
What is the SMILES notation for 7-butan-2-yl-3H-pyrazino[2,3-d]triazin-4-one?
The canonical SMILES for 7-butan-2-yl-3H-pyrazino[2,3-d]triazin-4-one is CCC(C)c1cnc2c(=O)[nH]nnc2n1.
What is the InChIKey of 7-butan-2-yl-3H-pyrazino[2,3-d]triazin-4-one?
The InChIKey is BSJXBFNZJUFEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-3-5(2)6-4-10-7-8(11-6)12-14-13-9(7)15/h4-5H,3H2,1-2H3,(H,11,12,13,15).
What are the key properties of 7-butan-2-yl-3H-pyrazino[2,3-d]triazin-4-one?
7-butan-2-yl-3H-pyrazino[2,3-d]triazin-4-one has a molecular weight of 205.22 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-3H-pyrazino[2,3-d]triazin-4-one is sourced from PubChem (CID 167283718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).