4-chloro-8-(4-methoxy-2,5-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine

C16H17ClN4O — CID 42640640

IUPAC4-chloro-8-(4-methoxy-2,5-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine
SMILESCOc1cc(C)c(-c2c(C)nn3c(Cl)nc(C)nc23)cc1C
InChIInChI=1S/C16H17ClN4O/c1-8-7-13(22-5)9(2)6-12(8)14-10(3)20-21-15(14)18-11(4)19-16(21)17/h6-7H,1-5H3
InChIKeyGZIZATVVFGCCLU-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.69
Rot. Bonds2

About 4-chloro-8-(4-methoxy-2,5-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine

4-chloro-8-(4-methoxy-2,5-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine (PubChem CID 42640640) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 4-chloro-8-(4-methoxy-2,5-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name4-chloro-8-(4-methoxy-2,5-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine
PubChem CID42640640
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name4-chloro-8-(4-methoxy-2,5-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine
SMILESCOc1cc(C)c(-c2c(C)nn3c(Cl)nc(C)nc23)cc1C
InChIInChI=1S/C16H17ClN4O/c1-8-7-13(22-5)9(2)6-12(8)14-10(3)20-21-15(14)18-11(4)19-16(21)17/h6-7H,1-5H3
InChIKeyGZIZATVVFGCCLU-UHFFFAOYSA-N
XLogP3.69
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-(4-methoxy-2,5-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 4-chloro-8-(4-methoxy-2,5-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine (CID 42640640) is 4-chloro-8-(4-methoxy-2,5-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 4-chloro-8-(4-methoxy-2,5-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 4-chloro-8-(4-methoxy-2,5-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine is COc1cc(C)c(-c2c(C)nn3c(Cl)nc(C)nc23)cc1C.
What is the InChIKey of 4-chloro-8-(4-methoxy-2,5-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is GZIZATVVFGCCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-8-7-13(22-5)9(2)6-12(8)14-10(3)20-21-15(14)18-11(4)19-16(21)17/h6-7H,1-5H3.
What are the key properties of 4-chloro-8-(4-methoxy-2,5-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine?
4-chloro-8-(4-methoxy-2,5-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 316.79 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-(4-methoxy-2,5-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 42640640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).