5-methyl-3-[6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole

C19H18N6O2 — CID 11233780

IUPAC5-methyl-3-[6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
SMILESCc1cc(-c2nnc3c4c(c(OCc5ccccn5)nn23)CCCC4)no1
InChIInChI=1S/C19H18N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h4-6,9-10H,2-3,7-8,11H2,1H3
InChIKeyQBYZDDIMNITMSB-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.94
Rot. Bonds4

About 5-methyl-3-[6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole

5-methyl-3-[6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole (PubChem CID 11233780) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-methyl-3-[6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
PubChem CID11233780
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name5-methyl-3-[6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
SMILESCc1cc(-c2nnc3c4c(c(OCc5ccccn5)nn23)CCCC4)no1
InChIInChI=1S/C19H18N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h4-6,9-10H,2-3,7-8,11H2,1H3
InChIKeyQBYZDDIMNITMSB-UHFFFAOYSA-N
XLogP2.94
TPSA91.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole (CID 11233780) is 5-methyl-3-[6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole is Cc1cc(-c2nnc3c4c(c(OCc5ccccn5)nn23)CCCC4)no1.
What is the InChIKey of 5-methyl-3-[6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The InChIKey is QBYZDDIMNITMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h4-6,9-10H,2-3,7-8,11H2,1H3.
What are the key properties of 5-methyl-3-[6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
5-methyl-3-[6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole has a molecular weight of 362.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole is sourced from PubChem (CID 11233780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).