6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-hydroxy-1-methyl-3H-indol-2-one

C14H15N5O2 — CID 81300772

IUPAC6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-hydroxy-1-methyl-3H-indol-2-one
SMILESCN1C(=O)C(O)c2ccc(N3CCn4cnnc4C3)cc21
InChIInChI=1S/C14H15N5O2/c1-17-11-6-9(2-3-10(11)13(20)14(17)21)18-4-5-19-8-15-16-12(19)7-18/h2-3,6,8,13,20H,4-5,7H2,1H3
InChIKeyHGQAJFPBFWGVME-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.31
Rot. Bonds1

About 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-hydroxy-1-methyl-3H-indol-2-one

6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-hydroxy-1-methyl-3H-indol-2-one (PubChem CID 81300772) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-hydroxy-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-hydroxy-1-methyl-3H-indol-2-one
PubChem CID81300772
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-hydroxy-1-methyl-3H-indol-2-one
SMILESCN1C(=O)C(O)c2ccc(N3CCn4cnnc4C3)cc21
InChIInChI=1S/C14H15N5O2/c1-17-11-6-9(2-3-10(11)13(20)14(17)21)18-4-5-19-8-15-16-12(19)7-18/h2-3,6,8,13,20H,4-5,7H2,1H3
InChIKeyHGQAJFPBFWGVME-UHFFFAOYSA-N
XLogP0.31
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-hydroxy-1-methyl-3H-indol-2-one?
The IUPAC name of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-hydroxy-1-methyl-3H-indol-2-one (CID 81300772) is 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-hydroxy-1-methyl-3H-indol-2-one.
What is the SMILES notation for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-hydroxy-1-methyl-3H-indol-2-one?
The canonical SMILES for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-hydroxy-1-methyl-3H-indol-2-one is CN1C(=O)C(O)c2ccc(N3CCn4cnnc4C3)cc21.
What is the InChIKey of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-hydroxy-1-methyl-3H-indol-2-one?
The InChIKey is HGQAJFPBFWGVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-17-11-6-9(2-3-10(11)13(20)14(17)21)18-4-5-19-8-15-16-12(19)7-18/h2-3,6,8,13,20H,4-5,7H2,1H3.
What are the key properties of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-hydroxy-1-methyl-3H-indol-2-one?
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-hydroxy-1-methyl-3H-indol-2-one has a molecular weight of 285.31 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-hydroxy-1-methyl-3H-indol-2-one is sourced from PubChem (CID 81300772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).