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

C22H25N7O2 — CID 59453121

IUPAC2-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCc1cc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)N(CCC1CCOCC1)CC(=O)N2
InChIInChI=1S/C22H25N7O2/c1-14-10-16(20-24-13-25-28-20)2-3-17(14)18-11-23-21-22(26-18)29(12-19(30)27-21)7-4-15-5-8-31-9-6-15/h2-3,10-11,13,15H,4-9,12H2,1H3,(H,23,27,30)(H,24,25,28)
InChIKeyMQKOPINQZVDCFE-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.81
Rot. Bonds5

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

2-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 59453121) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name2-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID59453121
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name2-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCc1cc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)N(CCC1CCOCC1)CC(=O)N2
InChIInChI=1S/C22H25N7O2/c1-14-10-16(20-24-13-25-28-20)2-3-17(14)18-11-23-21-22(26-18)29(12-19(30)27-21)7-4-15-5-8-31-9-6-15/h2-3,10-11,13,15H,4-9,12H2,1H3,(H,23,27,30)(H,24,25,28)
InChIKeyMQKOPINQZVDCFE-UHFFFAOYSA-N
XLogP2.81
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 2-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 59453121) is 2-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 2-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 2-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is Cc1cc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)N(CCC1CCOCC1)CC(=O)N2.
What is the InChIKey of 2-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is MQKOPINQZVDCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-14-10-16(20-24-13-25-28-20)2-3-17(14)18-11-23-21-22(26-18)29(12-19(30)27-21)7-4-15-5-8-31-9-6-15/h2-3,10-11,13,15H,4-9,12H2,1H3,(H,23,27,30)(H,24,25,28).
What are the key properties of 2-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
2-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 419.49 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 59453121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).