2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-8-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-one

C23H26F2N8O2 — CID 167438821

IUPAC2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-8-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-one
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CC(=O)N3CCN(C)CC3C2)nn1
InChIInChI=1S/C23H26F2N8O2/c1-15-19(33(29-26-15)17-5-3-16(4-6-17)23(24)25)14-35-21-8-7-20(27-28-21)31-12-18-11-30(2)9-10-32(18)22(34)13-31/h3-8,18,23H,9-14H2,1-2H3
InChIKeyGMMDGDMSNZZFLR-UHFFFAOYSA-N
MW484.51 g/mol
LogP1.84
Rot. Bonds6

About 2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-8-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-one

2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-8-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-one (PubChem CID 167438821) has the molecular formula C23H26F2N8O2 and a molecular weight of 484.51 g/mol. Its IUPAC name is 2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-8-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-8-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-one
PubChem CID167438821
Molecular FormulaC23H26F2N8O2
Molecular Weight484.51 g/mol
Exact Mass484.21
IUPAC Name2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-8-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-one
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CC(=O)N3CCN(C)CC3C2)nn1
InChIInChI=1S/C23H26F2N8O2/c1-15-19(33(29-26-15)17-5-3-16(4-6-17)23(24)25)14-35-21-8-7-20(27-28-21)31-12-18-11-30(2)9-10-32(18)22(34)13-31/h3-8,18,23H,9-14H2,1-2H3
InChIKeyGMMDGDMSNZZFLR-UHFFFAOYSA-N
XLogP1.84
TPSA92.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-8-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-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 2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-8-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-one?
The IUPAC name of 2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-8-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-one (CID 167438821) is 2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-8-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-one.
What is the SMILES notation for 2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-8-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-one?
The canonical SMILES for 2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-8-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-one is Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CC(=O)N3CCN(C)CC3C2)nn1.
What is the InChIKey of 2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-8-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-one?
The InChIKey is GMMDGDMSNZZFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N8O2/c1-15-19(33(29-26-15)17-5-3-16(4-6-17)23(24)25)14-35-21-8-7-20(27-28-21)31-12-18-11-30(2)9-10-32(18)22(34)13-31/h3-8,18,23H,9-14H2,1-2H3.
What are the key properties of 2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-8-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-one?
2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-8-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-one has a molecular weight of 484.51 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-8-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-one is sourced from PubChem (CID 167438821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).