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

C22H20N6O3 — CID 57336135

IUPAC6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]methanone
SMILESCc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCn3cnnc3C2)cn1
InChIInChI=1S/C22H20N6O3/c1-15-18(21(26-31-15)16-5-3-2-4-6-16)13-30-20-8-7-17(11-23-20)22(29)27-9-10-28-14-24-25-19(28)12-27/h2-8,11,14H,9-10,12-13H2,1H3
InChIKeyMZYXACXBSSTJLY-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.87
Rot. Bonds5

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

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]methanone (PubChem CID 57336135) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]methanone
PubChem CID57336135
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]methanone
SMILESCc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCn3cnnc3C2)cn1
InChIInChI=1S/C22H20N6O3/c1-15-18(21(26-31-15)16-5-3-2-4-6-16)13-30-20-8-7-17(11-23-20)22(29)27-9-10-28-14-24-25-19(28)12-27/h2-8,11,14H,9-10,12-13H2,1H3
InChIKeyMZYXACXBSSTJLY-UHFFFAOYSA-N
XLogP2.87
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]methanone?
The IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]methanone (CID 57336135) is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]methanone.
What is the SMILES notation for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]methanone?
The canonical SMILES for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]methanone is Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCn3cnnc3C2)cn1.
What is the InChIKey of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]methanone?
The InChIKey is MZYXACXBSSTJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c1-15-18(21(26-31-15)16-5-3-2-4-6-16)13-30-20-8-7-17(11-23-20)22(29)27-9-10-28-14-24-25-19(28)12-27/h2-8,11,14H,9-10,12-13H2,1H3.
What are the key properties of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]methanone?
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]methanone has a molecular weight of 416.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-3-pyridinyl]methanone is sourced from PubChem (CID 57336135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).