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

C21H24N8O2 — CID 52933729

IUPAC8-[[(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
SMILESCO[C@H]1CC[C@@H](CN2CC(=O)Nc3ncc(-c4ccc(-c5ncn[nH]5)nc4C)nc32)C1
InChIInChI=1S/C21H24N8O2/c1-12-15(5-6-16(25-12)19-23-11-24-28-19)17-8-22-20-21(26-17)29(10-18(30)27-20)9-13-3-4-14(7-13)31-2/h5-6,8,11,13-14H,3-4,7,9-10H2,1-2H3,(H,22,27,30)(H,23,24,28)/t13-,14+/m1/s1
InChIKeyIKJNTZVWDMXCEA-KGLIPLIRSA-N
MW420.48 g/mol
LogP2.21
Rot. Bonds5

About 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

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 (PubChem CID 52933729) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[[(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
PubChem CID52933729
Molecular FormulaC21H24N8O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name8-[[(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
SMILESCO[C@H]1CC[C@@H](CN2CC(=O)Nc3ncc(-c4ccc(-c5ncn[nH]5)nc4C)nc32)C1
InChIInChI=1S/C21H24N8O2/c1-12-15(5-6-16(25-12)19-23-11-24-28-19)17-8-22-20-21(26-17)29(10-18(30)27-20)9-13-3-4-14(7-13)31-2/h5-6,8,11,13-14H,3-4,7,9-10H2,1-2H3,(H,22,27,30)(H,23,24,28)/t13-,14+/m1/s1
InChIKeyIKJNTZVWDMXCEA-KGLIPLIRSA-N
XLogP2.21
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

8-[(1R,3R)-3-methoxycyclopentyl]-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46214224
2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46215563
8-(2-methoxyethyl)-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46216571
8-(2-methoxyethyl)-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen
CID 158826689
8-[(4-methoxycyclohexyl)methyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 160854933
5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;hydrochloride
CID 67153895
ethene;5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 144947864
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
8-cyclohexyl-2-[3-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 66603686
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
5-[8-(4-methoxycyclohexyl)-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]-4-methylpyridine-2-carboxamide
CID 66608109
2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[(3S)-3-methoxycyclopentyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 59453063

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CO[C@H]1CC[C@@H](CN2CC(=O)Nc3ncc(-c4ccc(-c5ncn[nH]5)nc4C)nc32)C1.
What is the InChIKey of 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?
The InChIKey is IKJNTZVWDMXCEA-KGLIPLIRSA-N. The full InChI is InChI=1S/C21H24N8O2/c1-12-15(5-6-16(25-12)19-23-11-24-28-19)17-8-22-20-21(26-17)29(10-18(30)27-20)9-13-3-4-14(7-13)31-2/h5-6,8,11,13-14H,3-4,7,9-10H2,1-2H3,(H,22,27,30)(H,23,24,28)/t13-,14+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 420.48 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 52933729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).