4-(2,4-dichlorophenyl)pyrazolo[5,1-f][1,2,4]triazin-2-amine

C11H7Cl2N5 — CID 126962350

IUPAC4-(2,4-dichlorophenyl)pyrazolo[5,1-f][1,2,4]triazin-2-amine
SMILESNc1nc(-c2ccc(Cl)cc2Cl)c2ccnn2n1
InChIInChI=1S/C11H7Cl2N5/c12-6-1-2-7(8(13)5-6)10-9-3-4-15-18(9)17-11(14)16-10/h1-5H,(H2,14,17)
InChIKeyVCXONGRHQFLTHL-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.68
Rot. Bonds1

About 4-(2,4-dichlorophenyl)pyrazolo[5,1-f][1,2,4]triazin-2-amine

4-(2,4-dichlorophenyl)pyrazolo[5,1-f][1,2,4]triazin-2-amine (PubChem CID 126962350) has the molecular formula C11H7Cl2N5 and a molecular weight of 280.12 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)pyrazolo[5,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)pyrazolo[5,1-f][1,2,4]triazin-2-amine
PubChem CID126962350
Molecular FormulaC11H7Cl2N5
Molecular Weight280.12 g/mol
Exact Mass279.01
IUPAC Name4-(2,4-dichlorophenyl)pyrazolo[5,1-f][1,2,4]triazin-2-amine
SMILESNc1nc(-c2ccc(Cl)cc2Cl)c2ccnn2n1
InChIInChI=1S/C11H7Cl2N5/c12-6-1-2-7(8(13)5-6)10-9-3-4-15-18(9)17-11(14)16-10/h1-5H,(H2,14,17)
InChIKeyVCXONGRHQFLTHL-UHFFFAOYSA-N
XLogP2.68
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,4-dichlorophenyl)-5-(fluoromethyl)pyrimidine-2,4-diamine
CID 22372155
4-(2,4-dichlorophenyl)pyrimidin-2-amine
CID 4773592
2,6-bis(2,4-dichlorophenyl)pyridin-4-amine
CID 133087176
6-chloro-2,3-bis(2,4-dichlorophenyl)pyridine
CID 133088206
4-(2,4-dichlorophenyl)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
CID 613861
5-(2,4-dichlorophenyl)-3-ethyl-6-methylpyrazin-2-amine
CID 142247147
3-(2,4-dichlorophenyl)-1-pyridin-4-ylpyrazol-5-amine
CID 43543157
2,4-dichloro-6-(2,4-dichlorophenyl)aniline
CID 71372791
4-chloro-6-(2,4-dichlorophenyl)-5-[(E)-methoxyiminomethyl]pyrimidin-2-amine
CID 126962331
5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine
CID 62018478
4-(2,4-dichlorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine
CID 66199955
5-chloro-2-(2,4-dichlorophenyl)aniline
CID 70539769

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)pyrazolo[5,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)pyrazolo[5,1-f][1,2,4]triazin-2-amine (CID 126962350) is 4-(2,4-dichlorophenyl)pyrazolo[5,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)pyrazolo[5,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)pyrazolo[5,1-f][1,2,4]triazin-2-amine is Nc1nc(-c2ccc(Cl)cc2Cl)c2ccnn2n1.
What is the InChIKey of 4-(2,4-dichlorophenyl)pyrazolo[5,1-f][1,2,4]triazin-2-amine?
The InChIKey is VCXONGRHQFLTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N5/c12-6-1-2-7(8(13)5-6)10-9-3-4-15-18(9)17-11(14)16-10/h1-5H,(H2,14,17).
What are the key properties of 4-(2,4-dichlorophenyl)pyrazolo[5,1-f][1,2,4]triazin-2-amine?
4-(2,4-dichlorophenyl)pyrazolo[5,1-f][1,2,4]triazin-2-amine has a molecular weight of 280.12 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)pyrazolo[5,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 126962350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).