(5R)-5-methyl-6-oxo-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,5-dihydro-1,2,4-triazine-3-carboxamide

C17H20N6O2 — CID 94663985

IUPAC(5R)-5-methyl-6-oxo-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESC[C@@H](Cn1cccn1)NC(=O)C1=N[C@H](C)C(=O)N(c2ccccc2)N1
InChIInChI=1S/C17H20N6O2/c1-12(11-22-10-6-9-18-22)19-16(24)15-20-13(2)17(25)23(21-15)14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3,(H,19,24)(H,20,21)/t12-,13+/m0/s1
InChIKeyXVFXPHDDRAMGJW-QWHCGFSZSA-N
MW340.39 g/mol
LogP0.73
Rot. Bonds5

About (5R)-5-methyl-6-oxo-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,5-dihydro-1,2,4-triazine-3-carboxamide

(5R)-5-methyl-6-oxo-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,5-dihydro-1,2,4-triazine-3-carboxamide (PubChem CID 94663985) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is (5R)-5-methyl-6-oxo-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,5-dihydro-1,2,4-triazine-3-carboxamide.

Molecular Properties

Compound Name(5R)-5-methyl-6-oxo-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,5-dihydro-1,2,4-triazine-3-carboxamide
PubChem CID94663985
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name(5R)-5-methyl-6-oxo-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESC[C@@H](Cn1cccn1)NC(=O)C1=N[C@H](C)C(=O)N(c2ccccc2)N1
InChIInChI=1S/C17H20N6O2/c1-12(11-22-10-6-9-18-22)19-16(24)15-20-13(2)17(25)23(21-15)14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3,(H,19,24)(H,20,21)/t12-,13+/m0/s1
InChIKeyXVFXPHDDRAMGJW-QWHCGFSZSA-N
XLogP0.73
TPSA91.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-6-oxo-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The IUPAC name of (5R)-5-methyl-6-oxo-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,5-dihydro-1,2,4-triazine-3-carboxamide (CID 94663985) is (5R)-5-methyl-6-oxo-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,5-dihydro-1,2,4-triazine-3-carboxamide.
What is the SMILES notation for (5R)-5-methyl-6-oxo-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The canonical SMILES for (5R)-5-methyl-6-oxo-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,5-dihydro-1,2,4-triazine-3-carboxamide is C[C@@H](Cn1cccn1)NC(=O)C1=N[C@H](C)C(=O)N(c2ccccc2)N1.
What is the InChIKey of (5R)-5-methyl-6-oxo-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The InChIKey is XVFXPHDDRAMGJW-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-12(11-22-10-6-9-18-22)19-16(24)15-20-13(2)17(25)23(21-15)14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3,(H,19,24)(H,20,21)/t12-,13+/m0/s1.
What are the key properties of (5R)-5-methyl-6-oxo-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,5-dihydro-1,2,4-triazine-3-carboxamide?
(5R)-5-methyl-6-oxo-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,5-dihydro-1,2,4-triazine-3-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-6-oxo-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,5-dihydro-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 94663985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).