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

C11H10N4 — CID 13496663

IUPAC3-methyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCc1nnc2cc(-c3ccccc3)[nH]n12
InChIInChI=1S/C11H10N4/c1-8-12-13-11-7-10(14-15(8)11)9-5-3-2-4-6-9/h2-7,14H,1H3
InChIKeyJXCVGBDBMQXAOO-UHFFFAOYSA-N
MW198.23 g/mol
LogP2.03
Rot. Bonds1

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

3-methyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole (PubChem CID 13496663) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-methyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-methyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole
PubChem CID13496663
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name3-methyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCc1nnc2cc(-c3ccccc3)[nH]n12
InChIInChI=1S/C11H10N4/c1-8-12-13-11-7-10(14-15(8)11)9-5-3-2-4-6-9/h2-7,14H,1H3
InChIKeyJXCVGBDBMQXAOO-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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Related Compounds

5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
6-Methyl-1H-pyrazolo(3,4-b)pyridin-3-amine
CID 768687
4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 821854
2-(4-aminophenyl)-6-tert-butyl-1H-pyrazolo(1,5-b)(1,2,4)triazole
CID 15333433
4,6-Dimethyl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 279219
N-[5-(2-aminophenyl)-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine
CID 943408
3-Methyl-6-phenyl[1,2,4]triazolo[4,3-b]pyridazine
CID 12726814
3-Methyl-6-[3-(amino)phenyl]-1,2,4-triazolo[4,3-b]pyridazine
CID 12726868
3,4,6-Trimethyl-1H-pyrazolo[3,4-b]pyridine
CID 1969953
4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-6-phenylpyrimidine
CID 867737
N-[5-(4-aminophenyl)-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine
CID 940704
5-Methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2055975

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The IUPAC name of 3-methyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole (CID 13496663) is 3-methyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole.
What is the SMILES notation for 3-methyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The canonical SMILES for 3-methyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole is Cc1nnc2cc(-c3ccccc3)[nH]n12.
What is the InChIKey of 3-methyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The InChIKey is JXCVGBDBMQXAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-8-12-13-11-7-10(14-15(8)11)9-5-3-2-4-6-9/h2-7,14H,1H3.
What are the key properties of 3-methyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
3-methyl-6-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 3-methyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole is sourced from PubChem (CID 13496663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).