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

C15H16N6O — CID 134790124

IUPAC5-methyl-3-[(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole
SMILESCc1cc(CN2CCn3c(nnc3-c3cccnc3)C2)no1
InChIInChI=1S/C15H16N6O/c1-11-7-13(19-22-11)9-20-5-6-21-14(10-20)17-18-15(21)12-3-2-4-16-8-12/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyLDYORVQIJXCRIM-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.65
Rot. Bonds3

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

5-methyl-3-[(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole (PubChem CID 134790124) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-methyl-3-[(3-pyridin-3-yl-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-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole
PubChem CID134790124
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name5-methyl-3-[(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole
SMILESCc1cc(CN2CCn3c(nnc3-c3cccnc3)C2)no1
InChIInChI=1S/C15H16N6O/c1-11-7-13(19-22-11)9-20-5-6-21-14(10-20)17-18-15(21)12-3-2-4-16-8-12/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyLDYORVQIJXCRIM-UHFFFAOYSA-N
XLogP1.65
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(3-pyridin-3-yl-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-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole (CID 134790124) is 5-methyl-3-[(3-pyridin-3-yl-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-pyridin-3-yl-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-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole is Cc1cc(CN2CCn3c(nnc3-c3cccnc3)C2)no1.
What is the InChIKey of 5-methyl-3-[(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole?
The InChIKey is LDYORVQIJXCRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-11-7-13(19-22-11)9-20-5-6-21-14(10-20)17-18-15(21)12-3-2-4-16-8-12/h2-4,7-8H,5-6,9-10H2,1H3.
What are the key properties of 5-methyl-3-[(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole?
5-methyl-3-[(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole has a molecular weight of 296.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 134790124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).