5-(8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one

C13H17N5O — CID 136742922

IUPAC5-(8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one
SMILESCC(C)C1NCCn2c(-c3ccc(=O)[nH]c3)nnc21
InChIInChI=1S/C13H17N5O/c1-8(2)11-13-17-16-12(18(13)6-5-14-11)9-3-4-10(19)15-7-9/h3-4,7-8,11,14H,5-6H2,1-2H3,(H,15,19)
InChIKeyINKIMLDBCFRYTP-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.93
Rot. Bonds2

About 5-(8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one

5-(8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one (PubChem CID 136742922) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one
PubChem CID136742922
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name5-(8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one
SMILESCC(C)C1NCCn2c(-c3ccc(=O)[nH]c3)nnc21
InChIInChI=1S/C13H17N5O/c1-8(2)11-13-17-16-12(18(13)6-5-14-11)9-3-4-10(19)15-7-9/h3-4,7-8,11,14H,5-6H2,1-2H3,(H,15,19)
InChIKeyINKIMLDBCFRYTP-UHFFFAOYSA-N
XLogP0.93
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one (CID 136742922) is 5-(8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one is CC(C)C1NCCn2c(-c3ccc(=O)[nH]c3)nnc21.
What is the InChIKey of 5-(8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one?
The InChIKey is INKIMLDBCFRYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-8(2)11-13-17-16-12(18(13)6-5-14-11)9-3-4-10(19)15-7-9/h3-4,7-8,11,14H,5-6H2,1-2H3,(H,15,19).
What are the key properties of 5-(8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one?
5-(8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one has a molecular weight of 259.31 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one is sourced from PubChem (CID 136742922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).