6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1,3-dihydroindol-2-one

C14H13N5O2 — CID 102712456

IUPAC6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(C(=O)N3CCn4cnnc4C3)cc2N1
InChIInChI=1S/C14H13N5O2/c20-13-6-9-1-2-10(5-11(9)16-13)14(21)18-3-4-19-8-15-17-12(19)7-18/h1-2,5,8H,3-4,6-7H2,(H,16,20)
InChIKeyQYBHQYZICVEPAM-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.43
Rot. Bonds1

About 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1,3-dihydroindol-2-one

6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 102712456) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1,3-dihydroindol-2-one
PubChem CID102712456
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(C(=O)N3CCn4cnnc4C3)cc2N1
InChIInChI=1S/C14H13N5O2/c20-13-6-9-1-2-10(5-11(9)16-13)14(21)18-3-4-19-8-15-17-12(19)7-18/h1-2,5,8H,3-4,6-7H2,(H,16,20)
InChIKeyQYBHQYZICVEPAM-UHFFFAOYSA-N
XLogP0.43
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]pyrazine-7-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1,3-dihydroindol-2-one (CID 102712456) is 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1,3-dihydroindol-2-one is O=C1Cc2ccc(C(=O)N3CCn4cnnc4C3)cc2N1.
What is the InChIKey of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is QYBHQYZICVEPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c20-13-6-9-1-2-10(5-11(9)16-13)14(21)18-3-4-19-8-15-17-12(19)7-18/h1-2,5,8H,3-4,6-7H2,(H,16,20).
What are the key properties of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1,3-dihydroindol-2-one?
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 283.29 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 102712456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).