6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1,2,4-triazine-3-carboxamide

C16H15N5O2 — CID 39890270

IUPAC6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1=NCC(=O)N(c2ccccc2)N1
InChIInChI=1S/C16H15N5O2/c22-14-11-18-15(20-21(14)13-6-2-1-3-7-13)16(23)19-10-12-5-4-8-17-9-12/h1-9H,10-11H2,(H,18,20)(H,19,23)
InChIKeyBFVYNKIYQCFWSQ-UHFFFAOYSA-N
MW309.33 g/mol
LogP0.65
Rot. Bonds4

About 6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1,2,4-triazine-3-carboxamide

6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1,2,4-triazine-3-carboxamide (PubChem CID 39890270) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1,2,4-triazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1,2,4-triazine-3-carboxamide
PubChem CID39890270
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1=NCC(=O)N(c2ccccc2)N1
InChIInChI=1S/C16H15N5O2/c22-14-11-18-15(20-21(14)13-6-2-1-3-7-13)16(23)19-10-12-5-4-8-17-9-12/h1-9H,10-11H2,(H,18,20)(H,19,23)
InChIKeyBFVYNKIYQCFWSQ-UHFFFAOYSA-N
XLogP0.65
TPSA86.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The IUPAC name of 6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1,2,4-triazine-3-carboxamide (CID 39890270) is 6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1,2,4-triazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1,2,4-triazine-3-carboxamide is O=C(NCc1cccnc1)C1=NCC(=O)N(c2ccccc2)N1.
What is the InChIKey of 6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The InChIKey is BFVYNKIYQCFWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-14-11-18-15(20-21(14)13-6-2-1-3-7-13)16(23)19-10-12-5-4-8-17-9-12/h1-9H,10-11H2,(H,18,20)(H,19,23).
What are the key properties of 6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1,2,4-triazine-3-carboxamide?
6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1,2,4-triazine-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 39890270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).