6-methyl-3-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole

C11H10N4 — CID 3607604

IUPAC6-methyl-3-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCc1cc2nnc(-c3ccccc3)n2[nH]1
InChIInChI=1S/C11H10N4/c1-8-7-10-12-13-11(15(10)14-8)9-5-3-2-4-6-9/h2-7,14H,1H3
InChIKeyQCFOEYHWLCUGGV-UHFFFAOYSA-N
MW198.23 g/mol
LogP2.03
Rot. Bonds1

About 6-methyl-3-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole

6-methyl-3-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole (PubChem CID 3607604) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 6-methyl-3-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole.

Molecular Properties

Compound Name6-methyl-3-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole
PubChem CID3607604
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name6-methyl-3-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCc1cc2nnc(-c3ccccc3)n2[nH]1
InChIInChI=1S/C11H10N4/c1-8-7-10-12-13-11(15(10)14-8)9-5-3-2-4-6-9/h2-7,14H,1H3
InChIKeyQCFOEYHWLCUGGV-UHFFFAOYSA-N
XLogP2.03
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The IUPAC name of 6-methyl-3-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole (CID 3607604) is 6-methyl-3-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole.
What is the SMILES notation for 6-methyl-3-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The canonical SMILES for 6-methyl-3-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole is Cc1cc2nnc(-c3ccccc3)n2[nH]1.
What is the InChIKey of 6-methyl-3-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The InChIKey is QCFOEYHWLCUGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-8-7-10-12-13-11(15(10)14-8)9-5-3-2-4-6-9/h2-7,14H,1H3.
What are the key properties of 6-methyl-3-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
6-methyl-3-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole has a molecular weight of 198.23 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole is sourced from PubChem (CID 3607604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).