N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

C20H19FN4O2 — CID 86835364

IUPACN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCC1N=C(C(=O)NC2CCc3c(F)cccc32)NN(c2ccccc2)C1=O
InChIInChI=1S/C20H19FN4O2/c1-12-20(27)25(13-6-3-2-4-7-13)24-18(22-12)19(26)23-17-11-10-14-15(17)8-5-9-16(14)21/h2-9,12,17H,10-11H2,1H3,(H,22,24)(H,23,26)
InChIKeyMYZFPEMMKIJQHK-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.27
Rot. Bonds3

About N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (PubChem CID 86835364) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
PubChem CID86835364
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCC1N=C(C(=O)NC2CCc3c(F)cccc32)NN(c2ccccc2)C1=O
InChIInChI=1S/C20H19FN4O2/c1-12-20(27)25(13-6-3-2-4-7-13)24-18(22-12)19(26)23-17-11-10-14-15(17)8-5-9-16(14)21/h2-9,12,17H,10-11H2,1H3,(H,22,24)(H,23,26)
InChIKeyMYZFPEMMKIJQHK-UHFFFAOYSA-N
XLogP2.27
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The IUPAC name of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (CID 86835364) is N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is CC1N=C(C(=O)NC2CCc3c(F)cccc32)NN(c2ccccc2)C1=O.
What is the InChIKey of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The InChIKey is MYZFPEMMKIJQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-12-20(27)25(13-6-3-2-4-7-13)24-18(22-12)19(26)23-17-11-10-14-15(17)8-5-9-16(14)21/h2-9,12,17H,10-11H2,1H3,(H,22,24)(H,23,26).
What are the key properties of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 86835364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).