1-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazol-3-amine

C13H12Cl3N3 — CID 102942490

IUPAC1-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2c1CCCC2
InChIInChI=1S/C13H12Cl3N3/c14-7-5-9(15)12(10(16)6-7)19-11-4-2-1-3-8(11)13(17)18-19/h5-6H,1-4H2,(H2,17,18)
InChIKeyNKQZCRDQLDICJM-UHFFFAOYSA-N
MW316.62 g/mol
LogP4.29
Rot. Bonds1

About 1-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazol-3-amine

1-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 102942490) has the molecular formula C13H12Cl3N3 and a molecular weight of 316.62 g/mol. Its IUPAC name is 1-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound Name1-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID102942490
Molecular FormulaC13H12Cl3N3
Molecular Weight316.62 g/mol
Exact Mass315.01
IUPAC Name1-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2c1CCCC2
InChIInChI=1S/C13H12Cl3N3/c14-7-5-9(15)12(10(16)6-7)19-11-4-2-1-3-8(11)13(17)18-19/h5-6H,1-4H2,(H2,17,18)
InChIKeyNKQZCRDQLDICJM-UHFFFAOYSA-N
XLogP4.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.62
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichloro-6-nitrophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942698
1-(2-chloro-4-iodophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 107608587
1-(2-chloro-5-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 107532030
1-(4-bromo-2,6-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 28993505
1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine
CID 102942370
1-(5-bromo-2-iodophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 114261534
1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942361
1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine
CID 102942537
1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
CID 102942368
1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride
CID 122156936
1-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942902
3-(4-fluorophenyl)-2-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazole
CID 56691087

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of 1-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazol-3-amine (CID 102942490) is 1-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for 1-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for 1-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazol-3-amine is Nc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2c1CCCC2.
What is the InChIKey of 1-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is NKQZCRDQLDICJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3N3/c14-7-5-9(15)12(10(16)6-7)19-11-4-2-1-3-8(11)13(17)18-19/h5-6H,1-4H2,(H2,17,18).
What are the key properties of 1-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazol-3-amine?
1-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazol-3-amine has a molecular weight of 316.62 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 102942490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).