2-oxo-N-(1,2,4-triazin-3-yl)-1,3-dihydroindole-6-carboxamide

C12H9N5O2 — CID 102712844

IUPAC2-oxo-N-(1,2,4-triazin-3-yl)-1,3-dihydroindole-6-carboxamide
SMILESO=C1Cc2ccc(C(=O)Nc3nccnn3)cc2N1
InChIInChI=1S/C12H9N5O2/c18-10-6-7-1-2-8(5-9(7)15-10)11(19)16-12-13-3-4-14-17-12/h1-5H,6H2,(H,15,18)(H,13,16,17,19)
InChIKeyYTYXMPSBPXGHCH-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.62
Rot. Bonds2

About 2-oxo-N-(1,2,4-triazin-3-yl)-1,3-dihydroindole-6-carboxamide

2-oxo-N-(1,2,4-triazin-3-yl)-1,3-dihydroindole-6-carboxamide (PubChem CID 102712844) has the molecular formula C12H9N5O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-oxo-N-(1,2,4-triazin-3-yl)-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1,2,4-triazin-3-yl)-1,3-dihydroindole-6-carboxamide
PubChem CID102712844
Molecular FormulaC12H9N5O2
Molecular Weight255.24 g/mol
Exact Mass255.08
IUPAC Name2-oxo-N-(1,2,4-triazin-3-yl)-1,3-dihydroindole-6-carboxamide
SMILESO=C1Cc2ccc(C(=O)Nc3nccnn3)cc2N1
InChIInChI=1S/C12H9N5O2/c18-10-6-7-1-2-8(5-9(7)15-10)11(19)16-12-13-3-4-14-17-12/h1-5H,6H2,(H,15,18)(H,13,16,17,19)
InChIKeyYTYXMPSBPXGHCH-UHFFFAOYSA-N
XLogP0.62
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712841
2-oxo-N-(4-sulfanylphenyl)-1,3-dihydroindole-6-carboxamide
CID 162521066
N-(4-methyl-3-pyridinyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712374
N-(2,6-dimethyl-3-pyridinyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712568
N-(6-fluoro-2-pyridinyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712837
2-oxo-1,3-dihydroindole-6-carbonyl chloride
CID 141361971
N-(2-cyanophenyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711879
2-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-dihydroindole-6-carboxamide
CID 102712241
2-oxo-N-(1-pyridin-4-ylethyl)-1,3-dihydroindole-6-carboxamide
CID 102711761
2-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1,3-dihydroindole-6-carboxamide
CID 102969369
N-[(1-methylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737430
2-oxo-N-piperidin-1-yl-1,3-dihydroindole-6-carboxamide
CID 102712663

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1,2,4-triazin-3-yl)-1,3-dihydroindole-6-carboxamide?
The IUPAC name of 2-oxo-N-(1,2,4-triazin-3-yl)-1,3-dihydroindole-6-carboxamide (CID 102712844) is 2-oxo-N-(1,2,4-triazin-3-yl)-1,3-dihydroindole-6-carboxamide.
What is the SMILES notation for 2-oxo-N-(1,2,4-triazin-3-yl)-1,3-dihydroindole-6-carboxamide?
The canonical SMILES for 2-oxo-N-(1,2,4-triazin-3-yl)-1,3-dihydroindole-6-carboxamide is O=C1Cc2ccc(C(=O)Nc3nccnn3)cc2N1.
What is the InChIKey of 2-oxo-N-(1,2,4-triazin-3-yl)-1,3-dihydroindole-6-carboxamide?
The InChIKey is YTYXMPSBPXGHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2/c18-10-6-7-1-2-8(5-9(7)15-10)11(19)16-12-13-3-4-14-17-12/h1-5H,6H2,(H,15,18)(H,13,16,17,19).
What are the key properties of 2-oxo-N-(1,2,4-triazin-3-yl)-1,3-dihydroindole-6-carboxamide?
2-oxo-N-(1,2,4-triazin-3-yl)-1,3-dihydroindole-6-carboxamide has a molecular weight of 255.24 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1,2,4-triazin-3-yl)-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 102712844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).