6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[5,1-f][1,2,4]triazin-4-one

C19H15ClN4O3 — CID 45279491

IUPAC6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[5,1-f][1,2,4]triazin-4-one
SMILESCOc1ccc(-n2cnn3nc(-c4ccc(Cl)cc4)cc3c2=O)cc1OC
InChIInChI=1S/C19H15ClN4O3/c1-26-17-8-7-14(9-18(17)27-2)23-11-21-24-16(19(23)25)10-15(22-24)12-3-5-13(20)6-4-12/h3-11H,1-2H3
InChIKeyUSBJXXZMWWDHDE-UHFFFAOYSA-N
MW382.81 g/mol
LogP3.22
Rot. Bonds4

About 6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[5,1-f][1,2,4]triazin-4-one

6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[5,1-f][1,2,4]triazin-4-one (PubChem CID 45279491) has the molecular formula C19H15ClN4O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[5,1-f][1,2,4]triazin-4-one
PubChem CID45279491
Molecular FormulaC19H15ClN4O3
Molecular Weight382.81 g/mol
Exact Mass382.08
IUPAC Name6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[5,1-f][1,2,4]triazin-4-one
SMILESCOc1ccc(-n2cnn3nc(-c4ccc(Cl)cc4)cc3c2=O)cc1OC
InChIInChI=1S/C19H15ClN4O3/c1-26-17-8-7-14(9-18(17)27-2)23-11-21-24-16(19(23)25)10-15(22-24)12-3-5-13(20)6-4-12/h3-11H,1-2H3
InChIKeyUSBJXXZMWWDHDE-UHFFFAOYSA-N
XLogP3.22
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[5,1-f][1,2,4]triazin-4-one (CID 45279491) is 6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[5,1-f][1,2,4]triazin-4-one is COc1ccc(-n2cnn3nc(-c4ccc(Cl)cc4)cc3c2=O)cc1OC.
What is the InChIKey of 6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is USBJXXZMWWDHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3/c1-26-17-8-7-14(9-18(17)27-2)23-11-21-24-16(19(23)25)10-15(22-24)12-3-5-13(20)6-4-12/h3-11H,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[5,1-f][1,2,4]triazin-4-one?
6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 382.81 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 45279491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).