7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate

C17H12N5O- — CID 22090601

IUPAC7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate
SMILESCc1cccc(-c2cc3nc(-c4ccccn4)nc([O-])n3n2)c1
InChIInChI=1S/C17H13N5O/c1-11-5-4-6-12(9-11)14-10-15-19-16(13-7-2-3-8-18-13)20-17(23)22(15)21-14/h2-10H,1H3,(H,19,20,23)/p-1
InChIKeyZLCZIVLFGKFKIE-UHFFFAOYSA-M
MW302.32 g/mol
LogP2.24
Rot. Bonds2

About 7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate

7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate (PubChem CID 22090601) has the molecular formula C17H12N5O- and a molecular weight of 302.32 g/mol. Its IUPAC name is 7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate.

Molecular Properties

Compound Name7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate
PubChem CID22090601
Molecular FormulaC17H12N5O-
Molecular Weight302.32 g/mol
Exact Mass302.10
IUPAC Name7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate
SMILESCc1cccc(-c2cc3nc(-c4ccccn4)nc([O-])n3n2)c1
InChIInChI=1S/C17H13N5O/c1-11-5-4-6-12(9-11)14-10-15-19-16(13-7-2-3-8-18-13)20-17(23)22(15)21-14/h2-10H,1H3,(H,19,20,23)/p-1
InChIKeyZLCZIVLFGKFKIE-UHFFFAOYSA-M
XLogP2.24
TPSA79.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate?
The IUPAC name of 7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate (CID 22090601) is 7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate.
What is the SMILES notation for 7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate?
The canonical SMILES for 7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate is Cc1cccc(-c2cc3nc(-c4ccccn4)nc([O-])n3n2)c1.
What is the InChIKey of 7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate?
The InChIKey is ZLCZIVLFGKFKIE-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13N5O/c1-11-5-4-6-12(9-11)14-10-15-19-16(13-7-2-3-8-18-13)20-17(23)22(15)21-14/h2-10H,1H3,(H,19,20,23)/p-1.
What are the key properties of 7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate?
7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate has a molecular weight of 302.32 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate is sourced from PubChem (CID 22090601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).