3-(4-chlorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine

C17H12ClN5 — CID 66490709

IUPAC3-(4-chlorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESNc1c(-c2ccc(Cl)cc2)nnc2c(-c3ccccc3)cnn12
InChIInChI=1S/C17H12ClN5/c18-13-8-6-12(7-9-13)15-16(19)23-17(22-21-15)14(10-20-23)11-4-2-1-3-5-11/h1-10H,19H2
InChIKeyMWTWIILJFSORBE-UHFFFAOYSA-N
MW321.77 g/mol
LogP3.69
Rot. Bonds2

About 3-(4-chlorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine

3-(4-chlorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine (PubChem CID 66490709) has the molecular formula C17H12ClN5 and a molecular weight of 321.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
PubChem CID66490709
Molecular FormulaC17H12ClN5
Molecular Weight321.77 g/mol
Exact Mass321.08
IUPAC Name3-(4-chlorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESNc1c(-c2ccc(Cl)cc2)nnc2c(-c3ccccc3)cnn12
InChIInChI=1S/C17H12ClN5/c18-13-8-6-12(7-9-13)15-16(19)23-17(22-21-15)14(10-20-23)11-4-2-1-3-5-11/h1-10H,19H2
InChIKeyMWTWIILJFSORBE-UHFFFAOYSA-N
XLogP3.69
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66490703
8-phenyl-3-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66490700
3-(4-chlorophenyl)-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126058344
3-(1H-benzimidazol-2-yl)-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 118592250
10-phenyl-3-oxa-1,4,7,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-5-amine
CID 66485234
3-(4-chlorophenyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1477911
5-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-amine
CID 56763446
methyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 1481755
3-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66490701
3-[4-(dimethylamino)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 174501483
1-(4-chlorophenyl)-5-phenylpyrazolo[5,1-a]isoquinoline
CID 102433500
6-(4-chlorophenyl)-5-phenylpyridine-3-carboxamide
CID 90957750

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine?
The IUPAC name of 3-(4-chlorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine (CID 66490709) is 3-(4-chlorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine?
The canonical SMILES for 3-(4-chlorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine is Nc1c(-c2ccc(Cl)cc2)nnc2c(-c3ccccc3)cnn12.
What is the InChIKey of 3-(4-chlorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine?
The InChIKey is MWTWIILJFSORBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5/c18-13-8-6-12(7-9-13)15-16(19)23-17(22-21-15)14(10-20-23)11-4-2-1-3-5-11/h1-10H,19H2.
What are the key properties of 3-(4-chlorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine?
3-(4-chlorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine has a molecular weight of 321.77 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine is sourced from PubChem (CID 66490709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).