8-(2,4-dichlorophenyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

C13H10Cl2N4O — CID 135536735

IUPAC8-(2,4-dichlorophenyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCc1nc2c(-c3ccc(Cl)cc3Cl)c(C)nn2c(=O)[nH]1
InChIInChI=1S/C13H10Cl2N4O/c1-6-11(9-4-3-8(14)5-10(9)15)12-16-7(2)17-13(20)19(12)18-6/h3-5H,1-2H3,(H,16,17,20)
InChIKeyZHIHXHNLXZXPMS-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.01
Rot. Bonds1

About 8-(2,4-dichlorophenyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

8-(2,4-dichlorophenyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (PubChem CID 135536735) has the molecular formula C13H10Cl2N4O and a molecular weight of 309.16 g/mol. Its IUPAC name is 8-(2,4-dichlorophenyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name8-(2,4-dichlorophenyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
PubChem CID135536735
Molecular FormulaC13H10Cl2N4O
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name8-(2,4-dichlorophenyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCc1nc2c(-c3ccc(Cl)cc3Cl)c(C)nn2c(=O)[nH]1
InChIInChI=1S/C13H10Cl2N4O/c1-6-11(9-4-3-8(14)5-10(9)15)12-16-7(2)17-13(20)19(12)18-6/h3-5H,1-2H3,(H,16,17,20)
InChIKeyZHIHXHNLXZXPMS-UHFFFAOYSA-N
XLogP3.01
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 135879804
7-(2,4-dichlorophenyl)-6-methylimidazo[2,1-e]pyrazol-3-one
CID 141219288
8-(2,4-dichlorophenyl)-2,7-dimethyl-N,N-dipropylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 10715520
2-[(2,4-dichlorophenyl)methylsulfanyl]-7-methyl-8-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 136949694
5-(2,4-dichlorophenyl)-2,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47290736
8-(2,4-dichlorophenyl)-N-hexan-3-yl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 10668220
5-(2,4-dichlorophenyl)-2-methyl-1H-imidazol-4-amine
CID 82477662
methyl 5-(2,4-dichlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916128
8-(2,4-dichlorophenyl)-7-methyl-2-phenylpyrimido[1,2-b]pyridazin-4-one
CID 141219323
8-(4-chlorophenyl)-7-methyl-2-(1-phenylethylsulfanyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 136949750
2-[(4-chlorophenyl)methylsulfanyl]-7-methyl-8-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 136949680
7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 4908382

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorophenyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of 8-(2,4-dichlorophenyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (CID 135536735) is 8-(2,4-dichlorophenyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 8-(2,4-dichlorophenyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 8-(2,4-dichlorophenyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is Cc1nc2c(-c3ccc(Cl)cc3Cl)c(C)nn2c(=O)[nH]1.
What is the InChIKey of 8-(2,4-dichlorophenyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is ZHIHXHNLXZXPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O/c1-6-11(9-4-3-8(14)5-10(9)15)12-16-7(2)17-13(20)19(12)18-6/h3-5H,1-2H3,(H,16,17,20).
What are the key properties of 8-(2,4-dichlorophenyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
8-(2,4-dichlorophenyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one has a molecular weight of 309.16 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichlorophenyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 135536735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).