5-methyl-3-[6-[(1-methylpyrazol-4-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole

C18H15N7O2 — CID 18361869

IUPAC5-methyl-3-[6-[(1-methylpyrazol-4-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
SMILESCc1cc(-c2nnc3c4ccccc4c(OCc4cnn(C)c4)nn23)no1
InChIInChI=1S/C18H15N7O2/c1-11-7-15(23-27-11)17-21-20-16-13-5-3-4-6-14(13)18(22-25(16)17)26-10-12-8-19-24(2)9-12/h3-9H,10H2,1-2H3
InChIKeyNBQHAJFUZWPVDF-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.55
Rot. Bonds4

About 5-methyl-3-[6-[(1-methylpyrazol-4-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole

5-methyl-3-[6-[(1-methylpyrazol-4-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole (PubChem CID 18361869) has the molecular formula C18H15N7O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is 5-methyl-3-[6-[(1-methylpyrazol-4-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[6-[(1-methylpyrazol-4-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
PubChem CID18361869
Molecular FormulaC18H15N7O2
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name5-methyl-3-[6-[(1-methylpyrazol-4-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
SMILESCc1cc(-c2nnc3c4ccccc4c(OCc4cnn(C)c4)nn23)no1
InChIInChI=1S/C18H15N7O2/c1-11-7-15(23-27-11)17-21-20-16-13-5-3-4-6-14(13)18(22-25(16)17)26-10-12-8-19-24(2)9-12/h3-9H,10H2,1-2H3
InChIKeyNBQHAJFUZWPVDF-UHFFFAOYSA-N
XLogP2.55
TPSA96.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[6-[(1-methylpyrazol-4-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[6-[(1-methylpyrazol-4-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole (CID 18361869) is 5-methyl-3-[6-[(1-methylpyrazol-4-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[6-[(1-methylpyrazol-4-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[6-[(1-methylpyrazol-4-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole is Cc1cc(-c2nnc3c4ccccc4c(OCc4cnn(C)c4)nn23)no1.
What is the InChIKey of 5-methyl-3-[6-[(1-methylpyrazol-4-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The InChIKey is NBQHAJFUZWPVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2/c1-11-7-15(23-27-11)17-21-20-16-13-5-3-4-6-14(13)18(22-25(16)17)26-10-12-8-19-24(2)9-12/h3-9H,10H2,1-2H3.
What are the key properties of 5-methyl-3-[6-[(1-methylpyrazol-4-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
5-methyl-3-[6-[(1-methylpyrazol-4-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole has a molecular weight of 361.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[6-[(1-methylpyrazol-4-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole is sourced from PubChem (CID 18361869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).