4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide

C17H19N5O3 — CID 42477134

IUPAC4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1nnc2n(c1=O)CCN2c1ccccc1
InChIInChI=1S/C17H19N5O3/c23-15(18-11-13-7-4-10-25-13)14-16(24)22-9-8-21(17(22)20-19-14)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,18,23)/t13-/m0/s1
InChIKeyPKVIEPUPXYSMRU-ZDUSSCGKSA-N
MW341.37 g/mol
LogP0.70
Rot. Bonds4

About 4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide

4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 42477134) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
PubChem CID42477134
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1nnc2n(c1=O)CCN2c1ccccc1
InChIInChI=1S/C17H19N5O3/c23-15(18-11-13-7-4-10-25-13)14-16(24)22-9-8-21(17(22)20-19-14)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,18,23)/t13-/m0/s1
InChIKeyPKVIEPUPXYSMRU-ZDUSSCGKSA-N
XLogP0.70
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cycloheptyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
CID 16861098
N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide
CID 100816447
6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide
CID 31883567
N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109045596
6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 23474466
N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109252363
2-[8-(4-methoxyphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40842952
4-[(2-methylphenyl)methyl]-3,5-dioxo-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-1,2,4-triazine-6-carboxamide
CID 93159074
4-[(2-methylphenyl)methyl]-3,5-dioxo-N-(oxolan-2-ylmethyl)-2-phenyl-1,2,4-triazine-6-carboxamide
CID 46004429
N-[[(2R)-oxan-2-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 99993161
N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 9379923
5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442535

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of 4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide (CID 42477134) is 4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for 4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide is O=C(NC[C@@H]1CCCO1)c1nnc2n(c1=O)CCN2c1ccccc1.
What is the InChIKey of 4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is PKVIEPUPXYSMRU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N5O3/c23-15(18-11-13-7-4-10-25-13)14-16(24)22-9-8-21(17(22)20-19-14)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,18,23)/t13-/m0/s1.
What are the key properties of 4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 42477134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).