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

C21H23N7O2 — CID 59453111

IUPAC5-[2-(oxan-4-yl)ethyl]-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CNc2ncc(-c3ccc(-c4ncn[nH]4)cc3)nc2N1CCC1CCOCC1
InChIInChI=1S/C21H23N7O2/c29-18-12-23-20-21(28(18)8-5-14-6-9-30-10-7-14)26-17(11-22-20)15-1-3-16(4-2-15)19-24-13-25-27-19/h1-4,11,13-14H,5-10,12H2,(H,22,23)(H,24,25,27)
InChIKeyMRVNZUNWYGONNW-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.50
Rot. Bonds5

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

5-[2-(oxan-4-yl)ethyl]-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 59453111) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 5-[2-(oxan-4-yl)ethyl]-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name5-[2-(oxan-4-yl)ethyl]-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID59453111
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name5-[2-(oxan-4-yl)ethyl]-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CNc2ncc(-c3ccc(-c4ncn[nH]4)cc3)nc2N1CCC1CCOCC1
InChIInChI=1S/C21H23N7O2/c29-18-12-23-20-21(28(18)8-5-14-6-9-30-10-7-14)26-17(11-22-20)15-1-3-16(4-2-15)19-24-13-25-27-19/h1-4,11,13-14H,5-10,12H2,(H,22,23)(H,24,25,27)
InChIKeyMRVNZUNWYGONNW-UHFFFAOYSA-N
XLogP2.50
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxan-4-yl)ethyl]-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 5-[2-(oxan-4-yl)ethyl]-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 59453111) is 5-[2-(oxan-4-yl)ethyl]-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 5-[2-(oxan-4-yl)ethyl]-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 5-[2-(oxan-4-yl)ethyl]-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is O=C1CNc2ncc(-c3ccc(-c4ncn[nH]4)cc3)nc2N1CCC1CCOCC1.
What is the InChIKey of 5-[2-(oxan-4-yl)ethyl]-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is MRVNZUNWYGONNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c29-18-12-23-20-21(28(18)8-5-14-6-9-30-10-7-14)26-17(11-22-20)15-1-3-16(4-2-15)19-24-13-25-27-19/h1-4,11,13-14H,5-10,12H2,(H,22,23)(H,24,25,27).
What are the key properties of 5-[2-(oxan-4-yl)ethyl]-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
5-[2-(oxan-4-yl)ethyl]-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 405.46 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxan-4-yl)ethyl]-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 59453111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).