1-propan-2-yl-4H-triazolo[4,5-b]pyridin-5-one

C8H10N4O — CID 122696559

IUPAC1-propan-2-yl-4H-triazolo[4,5-b]pyridin-5-one
SMILESCC(C)n1nnc2[nH]c(=O)ccc21
InChIInChI=1S/C8H10N4O/c1-5(2)12-6-3-4-7(13)9-8(6)10-11-12/h3-5H,1-2H3,(H,9,13)
InChIKeyXESYGBINNJEQFM-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.70
Rot. Bonds1

About 1-propan-2-yl-4H-triazolo[4,5-b]pyridin-5-one

1-propan-2-yl-4H-triazolo[4,5-b]pyridin-5-one (PubChem CID 122696559) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-propan-2-yl-4H-triazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name1-propan-2-yl-4H-triazolo[4,5-b]pyridin-5-one
PubChem CID122696559
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name1-propan-2-yl-4H-triazolo[4,5-b]pyridin-5-one
SMILESCC(C)n1nnc2[nH]c(=O)ccc21
InChIInChI=1S/C8H10N4O/c1-5(2)12-6-3-4-7(13)9-8(6)10-11-12/h3-5H,1-2H3,(H,9,13)
InChIKeyXESYGBINNJEQFM-UHFFFAOYSA-N
XLogP0.70
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4H-triazolo[4,5-b]pyridin-5-one?
The IUPAC name of 1-propan-2-yl-4H-triazolo[4,5-b]pyridin-5-one (CID 122696559) is 1-propan-2-yl-4H-triazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 1-propan-2-yl-4H-triazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 1-propan-2-yl-4H-triazolo[4,5-b]pyridin-5-one is CC(C)n1nnc2[nH]c(=O)ccc21.
What is the InChIKey of 1-propan-2-yl-4H-triazolo[4,5-b]pyridin-5-one?
The InChIKey is XESYGBINNJEQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5(2)12-6-3-4-7(13)9-8(6)10-11-12/h3-5H,1-2H3,(H,9,13).
What are the key properties of 1-propan-2-yl-4H-triazolo[4,5-b]pyridin-5-one?
1-propan-2-yl-4H-triazolo[4,5-b]pyridin-5-one has a molecular weight of 178.19 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4H-triazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 122696559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).