8-[[(2S)-oxolan-2-yl]methyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one

C19H19N7O2 — CID 46214722

IUPAC8-[[(2S)-oxolan-2-yl]methyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CN(C[C@@H]2CCCO2)c2nc(-c3ccc(-c4ncn[nH]4)cc3)cnc2N1
InChIInChI=1S/C19H19N7O2/c27-16-10-26(9-14-2-1-7-28-14)19-18(24-16)20-8-15(23-19)12-3-5-13(6-4-12)17-21-11-22-25-17/h3-6,8,11,14H,1-2,7,9-10H2,(H,20,24,27)(H,21,22,25)/t14-/m0/s1
InChIKeyXQHYPZYISNXXOH-AWEZNQCLSA-N
MW377.41 g/mol
LogP1.87
Rot. Bonds4

About 8-[[(2S)-oxolan-2-yl]methyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one

8-[[(2S)-oxolan-2-yl]methyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 46214722) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 8-[[(2S)-oxolan-2-yl]methyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name8-[[(2S)-oxolan-2-yl]methyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID46214722
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name8-[[(2S)-oxolan-2-yl]methyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CN(C[C@@H]2CCCO2)c2nc(-c3ccc(-c4ncn[nH]4)cc3)cnc2N1
InChIInChI=1S/C19H19N7O2/c27-16-10-26(9-14-2-1-7-28-14)19-18(24-16)20-8-15(23-19)12-3-5-13(6-4-12)17-21-11-22-25-17/h3-6,8,11,14H,1-2,7,9-10H2,(H,20,24,27)(H,21,22,25)/t14-/m0/s1
InChIKeyXQHYPZYISNXXOH-AWEZNQCLSA-N
XLogP1.87
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

molecular hydrogen;8-[2-(oxan-4-yl)ethyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 159876397
2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[[(2R)-oxolan-2-yl]methyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen
CID 162209513
8-[[(1R,3S)-3-methoxycyclopentyl]methyl]-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 52933729
1-(oxolan-2-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-2H-pyrazine
CID 151677843
1,3,3-trimethyl-5-[2-(oxolan-2-ylmethyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]indol-2-one
CID 166375087
6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one
CID 117006335
3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64879241
3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione
CID 64881514
1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64872858
4-methyl-7-(oxolan-2-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 141100116
4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64878807
3-(4-methylphenyl)-4-[[(2S)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-thione
CID 125461712

Frequently Asked Questions

What is the IUPAC name of 8-[[(2S)-oxolan-2-yl]methyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 8-[[(2S)-oxolan-2-yl]methyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 46214722) is 8-[[(2S)-oxolan-2-yl]methyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 8-[[(2S)-oxolan-2-yl]methyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 8-[[(2S)-oxolan-2-yl]methyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is O=C1CN(C[C@@H]2CCCO2)c2nc(-c3ccc(-c4ncn[nH]4)cc3)cnc2N1.
What is the InChIKey of 8-[[(2S)-oxolan-2-yl]methyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is XQHYPZYISNXXOH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N7O2/c27-16-10-26(9-14-2-1-7-28-14)19-18(24-16)20-8-15(23-19)12-3-5-13(6-4-12)17-21-11-22-25-17/h3-6,8,11,14H,1-2,7,9-10H2,(H,20,24,27)(H,21,22,25)/t14-/m0/s1.
What are the key properties of 8-[[(2S)-oxolan-2-yl]methyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
8-[[(2S)-oxolan-2-yl]methyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 377.41 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(2S)-oxolan-2-yl]methyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 46214722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).