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

C16H13N5 — CID 20719524

IUPAC7-methyl-6-phenyl-3-pyridin-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCc1c(-c2ccccc2)[nH]n2c(-c3cccnc3)nnc12
InChIInChI=1S/C16H13N5/c1-11-14(12-6-3-2-4-7-12)20-21-15(11)18-19-16(21)13-8-5-9-17-10-13/h2-10,20H,1H3
InChIKeyAYDXQAKBEFDMRH-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.09
Rot. Bonds2

About 7-methyl-6-phenyl-3-pyridin-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazole

7-methyl-6-phenyl-3-pyridin-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazole (PubChem CID 20719524) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 7-methyl-6-phenyl-3-pyridin-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazole.

Molecular Properties

Compound Name7-methyl-6-phenyl-3-pyridin-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazole
PubChem CID20719524
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name7-methyl-6-phenyl-3-pyridin-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCc1c(-c2ccccc2)[nH]n2c(-c3cccnc3)nnc12
InChIInChI=1S/C16H13N5/c1-11-14(12-6-3-2-4-7-12)20-21-15(11)18-19-16(21)13-8-5-9-17-10-13/h2-10,20H,1H3
InChIKeyAYDXQAKBEFDMRH-UHFFFAOYSA-N
XLogP3.09
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-phenyl-3-pyridin-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The IUPAC name of 7-methyl-6-phenyl-3-pyridin-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazole (CID 20719524) is 7-methyl-6-phenyl-3-pyridin-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazole.
What is the SMILES notation for 7-methyl-6-phenyl-3-pyridin-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The canonical SMILES for 7-methyl-6-phenyl-3-pyridin-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazole is Cc1c(-c2ccccc2)[nH]n2c(-c3cccnc3)nnc12.
What is the InChIKey of 7-methyl-6-phenyl-3-pyridin-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The InChIKey is AYDXQAKBEFDMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-11-14(12-6-3-2-4-7-12)20-21-15(11)18-19-16(21)13-8-5-9-17-10-13/h2-10,20H,1H3.
What are the key properties of 7-methyl-6-phenyl-3-pyridin-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazole?
7-methyl-6-phenyl-3-pyridin-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazole has a molecular weight of 275.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-phenyl-3-pyridin-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazole is sourced from PubChem (CID 20719524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).