[2-(3-fluorophenyl)pyrimidin-5-yl] N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)carbamate

C15H13FN6O3 — CID 71134468

IUPAC[2-(3-fluorophenyl)pyrimidin-5-yl] N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)carbamate
SMILESCC1=NNC(=O)N(NC(=O)Oc2cnc(-c3cccc(F)c3)nc2)C1
InChIInChI=1S/C15H13FN6O3/c1-9-8-22(14(23)20-19-9)21-15(24)25-12-6-17-13(18-7-12)10-3-2-4-11(16)5-10/h2-7H,8H2,1H3,(H,20,23)(H,21,24)
InChIKeyNYHSNRXFGMUGOA-UHFFFAOYSA-N
MW344.31 g/mol
LogP1.69
Rot. Bonds3

About [2-(3-fluorophenyl)pyrimidin-5-yl] N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)carbamate

[2-(3-fluorophenyl)pyrimidin-5-yl] N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)carbamate (PubChem CID 71134468) has the molecular formula C15H13FN6O3 and a molecular weight of 344.31 g/mol. Its IUPAC name is [2-(3-fluorophenyl)pyrimidin-5-yl] N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)carbamate.

Molecular Properties

Compound Name[2-(3-fluorophenyl)pyrimidin-5-yl] N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)carbamate
PubChem CID71134468
Molecular FormulaC15H13FN6O3
Molecular Weight344.31 g/mol
Exact Mass344.10
IUPAC Name[2-(3-fluorophenyl)pyrimidin-5-yl] N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)carbamate
SMILESCC1=NNC(=O)N(NC(=O)Oc2cnc(-c3cccc(F)c3)nc2)C1
InChIInChI=1S/C15H13FN6O3/c1-9-8-22(14(23)20-19-9)21-15(24)25-12-6-17-13(18-7-12)10-3-2-4-11(16)5-10/h2-7H,8H2,1H3,(H,20,23)(H,21,24)
InChIKeyNYHSNRXFGMUGOA-UHFFFAOYSA-N
XLogP1.69
TPSA108.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)pyrimidin-5-yl] N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)carbamate?
The IUPAC name of [2-(3-fluorophenyl)pyrimidin-5-yl] N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)carbamate (CID 71134468) is [2-(3-fluorophenyl)pyrimidin-5-yl] N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)carbamate.
What is the SMILES notation for [2-(3-fluorophenyl)pyrimidin-5-yl] N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)carbamate?
The canonical SMILES for [2-(3-fluorophenyl)pyrimidin-5-yl] N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)carbamate is CC1=NNC(=O)N(NC(=O)Oc2cnc(-c3cccc(F)c3)nc2)C1.
What is the InChIKey of [2-(3-fluorophenyl)pyrimidin-5-yl] N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)carbamate?
The InChIKey is NYHSNRXFGMUGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6O3/c1-9-8-22(14(23)20-19-9)21-15(24)25-12-6-17-13(18-7-12)10-3-2-4-11(16)5-10/h2-7H,8H2,1H3,(H,20,23)(H,21,24).
What are the key properties of [2-(3-fluorophenyl)pyrimidin-5-yl] N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)carbamate?
[2-(3-fluorophenyl)pyrimidin-5-yl] N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)carbamate has a molecular weight of 344.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)pyrimidin-5-yl] N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)carbamate is sourced from PubChem (CID 71134468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).