6-tert-butyl-3-(2-methoxyphenyl)-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole

C15H20N4O — CID 136630281

IUPAC6-tert-butyl-3-(2-methoxyphenyl)-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCOc1ccccc1C1NNc2cc(C(C)(C)C)nn21
InChIInChI=1S/C15H20N4O/c1-15(2,3)12-9-13-16-17-14(19(13)18-12)10-7-5-6-8-11(10)20-4/h5-9,14,16-17H,1-4H3
InChIKeyPIOGEFRACKNVCB-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.67
Rot. Bonds2

About 6-tert-butyl-3-(2-methoxyphenyl)-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole

6-tert-butyl-3-(2-methoxyphenyl)-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole (PubChem CID 136630281) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-tert-butyl-3-(2-methoxyphenyl)-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole.

Molecular Properties

Compound Name6-tert-butyl-3-(2-methoxyphenyl)-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole
PubChem CID136630281
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name6-tert-butyl-3-(2-methoxyphenyl)-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCOc1ccccc1C1NNc2cc(C(C)(C)C)nn21
InChIInChI=1S/C15H20N4O/c1-15(2,3)12-9-13-16-17-14(19(13)18-12)10-7-5-6-8-11(10)20-4/h5-9,14,16-17H,1-4H3
InChIKeyPIOGEFRACKNVCB-UHFFFAOYSA-N
XLogP2.67
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(2-methoxyphenyl)-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole?
The IUPAC name of 6-tert-butyl-3-(2-methoxyphenyl)-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole (CID 136630281) is 6-tert-butyl-3-(2-methoxyphenyl)-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole.
What is the SMILES notation for 6-tert-butyl-3-(2-methoxyphenyl)-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole?
The canonical SMILES for 6-tert-butyl-3-(2-methoxyphenyl)-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole is COc1ccccc1C1NNc2cc(C(C)(C)C)nn21.
What is the InChIKey of 6-tert-butyl-3-(2-methoxyphenyl)-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole?
The InChIKey is PIOGEFRACKNVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2,3)12-9-13-16-17-14(19(13)18-12)10-7-5-6-8-11(10)20-4/h5-9,14,16-17H,1-4H3.
What are the key properties of 6-tert-butyl-3-(2-methoxyphenyl)-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole?
6-tert-butyl-3-(2-methoxyphenyl)-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole has a molecular weight of 272.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(2-methoxyphenyl)-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole is sourced from PubChem (CID 136630281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).