2-methyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine

C12H10N4 — CID 13000583

IUPAC2-methyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine
SMILESCc1ncn2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C12H10N4/c1-9-13-8-16-12(14-9)7-11(15-16)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyOLBYJEHDJSKKBV-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.10
Rot. Bonds1

About 2-methyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine

2-methyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine (PubChem CID 13000583) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-methyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name2-methyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine
PubChem CID13000583
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name2-methyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine
SMILESCc1ncn2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C12H10N4/c1-9-13-8-16-12(14-9)7-11(15-16)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyOLBYJEHDJSKKBV-UHFFFAOYSA-N
XLogP2.10
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 2-methyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine (CID 13000583) is 2-methyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 2-methyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 2-methyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine is Cc1ncn2nc(-c3ccccc3)cc2n1.
What is the InChIKey of 2-methyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is OLBYJEHDJSKKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-9-13-8-16-12(14-9)7-11(15-16)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 2-methyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine?
2-methyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 210.24 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 13000583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).