3-propan-2-yloxypyrido[3,2-d]triazin-4-one

C9H10N4O2 — CID 155766310

IUPAC3-propan-2-yloxypyrido[3,2-d]triazin-4-one
SMILESCC(C)On1nnc2cccnc2c1=O
InChIInChI=1S/C9H10N4O2/c1-6(2)15-13-9(14)8-7(11-12-13)4-3-5-10-8/h3-6H,1-2H3
InChIKeyTXAKXMZMROAOOP-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.02
Rot. Bonds2

About 3-propan-2-yloxypyrido[3,2-d]triazin-4-one

3-propan-2-yloxypyrido[3,2-d]triazin-4-one (PubChem CID 155766310) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 3-propan-2-yloxypyrido[3,2-d]triazin-4-one.

Molecular Properties

Compound Name3-propan-2-yloxypyrido[3,2-d]triazin-4-one
PubChem CID155766310
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name3-propan-2-yloxypyrido[3,2-d]triazin-4-one
SMILESCC(C)On1nnc2cccnc2c1=O
InChIInChI=1S/C9H10N4O2/c1-6(2)15-13-9(14)8-7(11-12-13)4-3-5-10-8/h3-6H,1-2H3
InChIKeyTXAKXMZMROAOOP-UHFFFAOYSA-N
XLogP0.02
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxypyrido[3,2-d]triazin-4-one?
The IUPAC name of 3-propan-2-yloxypyrido[3,2-d]triazin-4-one (CID 155766310) is 3-propan-2-yloxypyrido[3,2-d]triazin-4-one.
What is the SMILES notation for 3-propan-2-yloxypyrido[3,2-d]triazin-4-one?
The canonical SMILES for 3-propan-2-yloxypyrido[3,2-d]triazin-4-one is CC(C)On1nnc2cccnc2c1=O.
What is the InChIKey of 3-propan-2-yloxypyrido[3,2-d]triazin-4-one?
The InChIKey is TXAKXMZMROAOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-6(2)15-13-9(14)8-7(11-12-13)4-3-5-10-8/h3-6H,1-2H3.
What are the key properties of 3-propan-2-yloxypyrido[3,2-d]triazin-4-one?
3-propan-2-yloxypyrido[3,2-d]triazin-4-one has a molecular weight of 206.21 g/mol, XLogP of 0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxypyrido[3,2-d]triazin-4-one is sourced from PubChem (CID 155766310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).