3-(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)-1,3-dihydroindol-2-one

C16H14N4O — CID 58584603

IUPAC3-(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)-1,3-dihydroindol-2-one
SMILESCc1cn2ncnc(C3C(=O)Nc4ccccc43)c2c1C
InChIInChI=1S/C16H14N4O/c1-9-7-20-15(10(9)2)14(17-8-18-20)13-11-5-3-4-6-12(11)19-16(13)21/h3-8,13H,1-2H3,(H,19,21)
InChIKeyNYVVQFNFLQKCSO-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.43
Rot. Bonds1

About 3-(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)-1,3-dihydroindol-2-one

3-(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)-1,3-dihydroindol-2-one (PubChem CID 58584603) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)-1,3-dihydroindol-2-one
PubChem CID58584603
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name3-(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)-1,3-dihydroindol-2-one
SMILESCc1cn2ncnc(C3C(=O)Nc4ccccc43)c2c1C
InChIInChI=1S/C16H14N4O/c1-9-7-20-15(10(9)2)14(17-8-18-20)13-11-5-3-4-6-12(11)19-16(13)21/h3-8,13H,1-2H3,(H,19,21)
InChIKeyNYVVQFNFLQKCSO-UHFFFAOYSA-N
XLogP2.43
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)-6-methylsulfonyl-1,3-dihydroindol-2-one
CID 58584609
3-(3,4-dimethyl-1H-pyrrol-2-yl)-1,3-dihydroindol-2-one
CID 151228191
ethane;6-(2-methylphenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
CID 136660737
3-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-1H-quinoxalin-2-one
CID 2312767
3-(4-aminophenyl)-1,3-dihydroindol-2-one
CID 118364316
[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium
CID 6921460
3-(4-nitrophenyl)-1,3-dihydroindol-2-one
CID 112758281
3-(4-ethoxynaphthalen-1-yl)-1,3-dihydroindol-2-one
CID 139780200
3-quinolin-2-yl-1,3-dihydroindol-2-one
CID 58723455
3-(1,3-thiazol-5-yl)-1,3-dihydroindol-2-one
CID 151897433
5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 67931396
3-[(1-methylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one
CID 43534975

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)-1,3-dihydroindol-2-one (CID 58584603) is 3-(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)-1,3-dihydroindol-2-one is Cc1cn2ncnc(C3C(=O)Nc4ccccc43)c2c1C.
What is the InChIKey of 3-(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)-1,3-dihydroindol-2-one?
The InChIKey is NYVVQFNFLQKCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-9-7-20-15(10(9)2)14(17-8-18-20)13-11-5-3-4-6-12(11)19-16(13)21/h3-8,13H,1-2H3,(H,19,21).
What are the key properties of 3-(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)-1,3-dihydroindol-2-one?
3-(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)-1,3-dihydroindol-2-one has a molecular weight of 278.31 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 58584603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).