5-methyl-3-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole

C16H17N5O — CID 134790212

IUPAC5-methyl-3-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole
SMILESCc1cc(CN2CCn3c(nnc3-c3ccccc3)C2)no1
InChIInChI=1S/C16H17N5O/c1-12-9-14(19-22-12)10-20-7-8-21-15(11-20)17-18-16(21)13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3
InChIKeyCIFSCEWPTGLVNZ-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.26
Rot. Bonds3

About 5-methyl-3-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole

5-methyl-3-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole (PubChem CID 134790212) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 5-methyl-3-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole
PubChem CID134790212
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name5-methyl-3-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole
SMILESCc1cc(CN2CCn3c(nnc3-c3ccccc3)C2)no1
InChIInChI=1S/C16H17N5O/c1-12-9-14(19-22-12)10-20-7-8-21-15(11-20)17-18-16(21)13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3
InChIKeyCIFSCEWPTGLVNZ-UHFFFAOYSA-N
XLogP2.26
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-3-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole 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-methyl-3-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole (CID 134790212) is 5-methyl-3-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole is Cc1cc(CN2CCn3c(nnc3-c3ccccc3)C2)no1.
What is the InChIKey of 5-methyl-3-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole?
The InChIKey is CIFSCEWPTGLVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-12-9-14(19-22-12)10-20-7-8-21-15(11-20)17-18-16(21)13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3.
What are the key properties of 5-methyl-3-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole?
5-methyl-3-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole has a molecular weight of 295.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 134790212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).