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

C15H18N4 — CID 15404575

IUPAC6-tert-butyl-3-(3-methylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCc1cccc(-c2nnc3cc(C(C)(C)C)[nH]n23)c1
InChIInChI=1S/C15H18N4/c1-10-6-5-7-11(8-10)14-17-16-13-9-12(15(2,3)4)18-19(13)14/h5-9,18H,1-4H3
InChIKeyCLVCTPLMORXLAA-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.33
Rot. Bonds1

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

6-tert-butyl-3-(3-methylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole (PubChem CID 15404575) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 6-tert-butyl-3-(3-methylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole.

Molecular Properties

Compound Name6-tert-butyl-3-(3-methylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole
PubChem CID15404575
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name6-tert-butyl-3-(3-methylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCc1cccc(-c2nnc3cc(C(C)(C)C)[nH]n23)c1
InChIInChI=1S/C15H18N4/c1-10-6-5-7-11(8-10)14-17-16-13-9-12(15(2,3)4)18-19(13)14/h5-9,18H,1-4H3
InChIKeyCLVCTPLMORXLAA-UHFFFAOYSA-N
XLogP3.33
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(3-methylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole?
The IUPAC name of 6-tert-butyl-3-(3-methylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole (CID 15404575) is 6-tert-butyl-3-(3-methylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole.
What is the SMILES notation for 6-tert-butyl-3-(3-methylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole?
The canonical SMILES for 6-tert-butyl-3-(3-methylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole is Cc1cccc(-c2nnc3cc(C(C)(C)C)[nH]n23)c1.
What is the InChIKey of 6-tert-butyl-3-(3-methylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole?
The InChIKey is CLVCTPLMORXLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10-6-5-7-11(8-10)14-17-16-13-9-12(15(2,3)4)18-19(13)14/h5-9,18H,1-4H3.
What are the key properties of 6-tert-butyl-3-(3-methylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole?
6-tert-butyl-3-(3-methylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole has a molecular weight of 254.34 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(3-methylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole is sourced from PubChem (CID 15404575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).