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

C15H20N4O3 — CID 39900316

IUPAC(5R)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCOC[C@@H](C)NC(=O)C1=N[C@H](C)C(=O)N(c2ccccc2)N1
InChIInChI=1S/C15H20N4O3/c1-10(9-22-3)16-14(20)13-17-11(2)15(21)19(18-13)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,16,20)(H,17,18)/t10-,11-/m1/s1
InChIKeyZKWUVYFMRRMRRN-GHMZBOCLSA-N
MW304.35 g/mol
LogP0.48
Rot. Bonds5

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

(5R)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (PubChem CID 39900316) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (5R)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
PubChem CID39900316
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(5R)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCOC[C@@H](C)NC(=O)C1=N[C@H](C)C(=O)N(c2ccccc2)N1
InChIInChI=1S/C15H20N4O3/c1-10(9-22-3)16-14(20)13-17-11(2)15(21)19(18-13)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,16,20)(H,17,18)/t10-,11-/m1/s1
InChIKeyZKWUVYFMRRMRRN-GHMZBOCLSA-N
XLogP0.48
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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
N-[1-(4-methoxyphenyl)cyclopentyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 60617884
(5S)-N-(1-benzylpiperidin-4-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 39895861
[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxylate
CID 55827323
N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31887874
5-methyl-6-oxo-1-phenyl-N-quinolin-8-yl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 55602269
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CID 55677777
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 55990741
5-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 55963053
5-methyl-6-oxo-1-phenyl-N-quinolin-6-yl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 60555015
5-methyl-3-[4-(2-methylpropyl)-1,4-diazepane-1-carbonyl]-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 71876318
5-methyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 43072459

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The IUPAC name of (5R)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (CID 39900316) is (5R)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.
What is the SMILES notation for (5R)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The canonical SMILES for (5R)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is COC[C@@H](C)NC(=O)C1=N[C@H](C)C(=O)N(c2ccccc2)N1.
What is the InChIKey of (5R)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The InChIKey is ZKWUVYFMRRMRRN-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-10(9-22-3)16-14(20)13-17-11(2)15(21)19(18-13)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,16,20)(H,17,18)/t10-,11-/m1/s1.
What are the key properties of (5R)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
(5R)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 39900316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).