(3R)-1-[(5S)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl]pyrrolidine-3-carboxamide

C16H19N5O3 — CID 95580277

IUPAC(3R)-1-[(5S)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl]pyrrolidine-3-carboxamide
SMILESC[C@@H]1N=C(C(=O)N2CC[C@@H](C(N)=O)C2)NN(c2ccccc2)C1=O
InChIInChI=1S/C16H19N5O3/c1-10-15(23)21(12-5-3-2-4-6-12)19-14(18-10)16(24)20-8-7-11(9-20)13(17)22/h2-6,10-11H,7-9H2,1H3,(H2,17,22)(H,18,19)/t10-,11+/m0/s1
InChIKeyRJSXVBZOZFNDTF-WDEREUQCSA-N
MW329.36 g/mol
LogP-0.34
Rot. Bonds3

About (3R)-1-[(5S)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl]pyrrolidine-3-carboxamide

(3R)-1-[(5S)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 95580277) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (3R)-1-[(5S)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(5S)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl]pyrrolidine-3-carboxamide
PubChem CID95580277
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name(3R)-1-[(5S)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl]pyrrolidine-3-carboxamide
SMILESC[C@@H]1N=C(C(=O)N2CC[C@@H](C(N)=O)C2)NN(c2ccccc2)C1=O
InChIInChI=1S/C16H19N5O3/c1-10-15(23)21(12-5-3-2-4-6-12)19-14(18-10)16(24)20-8-7-11(9-20)13(17)22/h2-6,10-11H,7-9H2,1H3,(H2,17,22)(H,18,19)/t10-,11+/m0/s1
InChIKeyRJSXVBZOZFNDTF-WDEREUQCSA-N
XLogP-0.34
TPSA108.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[(5S)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 55990598
(5R)-3-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 97090883
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-3-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 55678727
(5R)-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 39950771
5-methyl-3-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 71685789
N-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 60586046
(5S)-N-[(3S)-1-benzylpyrrolidin-3-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 51942915
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 136516476
3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 55602302
(5S)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 94080300
(5R)-5-methyl-6-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 99782938

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(5S)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(5S)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl]pyrrolidine-3-carboxamide (CID 95580277) is (3R)-1-[(5S)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(5S)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(5S)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl]pyrrolidine-3-carboxamide is C[C@@H]1N=C(C(=O)N2CC[C@@H](C(N)=O)C2)NN(c2ccccc2)C1=O.
What is the InChIKey of (3R)-1-[(5S)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is RJSXVBZOZFNDTF-WDEREUQCSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-10-15(23)21(12-5-3-2-4-6-12)19-14(18-10)16(24)20-8-7-11(9-20)13(17)22/h2-6,10-11H,7-9H2,1H3,(H2,17,22)(H,18,19)/t10-,11+/m0/s1.
What are the key properties of (3R)-1-[(5S)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl]pyrrolidine-3-carboxamide?
(3R)-1-[(5S)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(5S)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95580277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).