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

C17H14N8O2 — CID 18361778

IUPAC5-methyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
SMILESCc1cc(-c2nnc3c4ccccc4c(OCc4ncnn4C)nn23)no1
InChIInChI=1S/C17H14N8O2/c1-10-7-13(23-27-10)16-21-20-15-11-5-3-4-6-12(11)17(22-25(15)16)26-8-14-18-9-19-24(14)2/h3-7,9H,8H2,1-2H3
InChIKeyJTMVVMQBPYDSQB-UHFFFAOYSA-N
MW362.35 g/mol
LogP1.95
Rot. Bonds4

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

5-methyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole (PubChem CID 18361778) has the molecular formula C17H14N8O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 5-methyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
PubChem CID18361778
Molecular FormulaC17H14N8O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name5-methyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
SMILESCc1cc(-c2nnc3c4ccccc4c(OCc4ncnn4C)nn23)no1
InChIInChI=1S/C17H14N8O2/c1-10-7-13(23-27-10)16-21-20-15-11-5-3-4-6-12(11)17(22-25(15)16)26-8-14-18-9-19-24(14)2/h3-7,9H,8H2,1-2H3
InChIKeyJTMVVMQBPYDSQB-UHFFFAOYSA-N
XLogP1.95
TPSA109.05 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole (CID 18361778) is 5-methyl-3-[6-[(2-methyl-1,2,4-triazol-3-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-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole is Cc1cc(-c2nnc3c4ccccc4c(OCc4ncnn4C)nn23)no1.
What is the InChIKey of 5-methyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The InChIKey is JTMVVMQBPYDSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N8O2/c1-10-7-13(23-27-10)16-21-20-15-11-5-3-4-6-12(11)17(22-25(15)16)26-8-14-18-9-19-24(14)2/h3-7,9H,8H2,1-2H3.
What are the key properties of 5-methyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
5-methyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole has a molecular weight of 362.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole is sourced from PubChem (CID 18361778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).