(1S)-1'-[6-(2-chlorophenyl)-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C22H22ClN5 — CID 155164169

IUPAC(1S)-1'-[6-(2-chlorophenyl)-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(-c3ccccc3Cl)nn1)CC2
InChIInChI=1S/C22H22ClN5/c23-18-8-4-3-7-17(18)19-14-25-21(27-26-19)28-11-9-22(10-12-28)13-15-5-1-2-6-16(15)20(22)24/h1-8,14,20H,9-13,24H2/t20-/m1/s1
InChIKeyVPKFFIGORYMMEG-HXUWFJFHSA-N
MW391.91 g/mol
LogP4.03
Rot. Bonds2

About (1S)-1'-[6-(2-chlorophenyl)-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[6-(2-chlorophenyl)-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 155164169) has the molecular formula C22H22ClN5 and a molecular weight of 391.91 g/mol. Its IUPAC name is (1S)-1'-[6-(2-chlorophenyl)-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[6-(2-chlorophenyl)-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID155164169
Molecular FormulaC22H22ClN5
Molecular Weight391.91 g/mol
Exact Mass391.16
IUPAC Name(1S)-1'-[6-(2-chlorophenyl)-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(-c3ccccc3Cl)nn1)CC2
InChIInChI=1S/C22H22ClN5/c23-18-8-4-3-7-17(18)19-14-25-21(27-26-19)28-11-9-22(10-12-28)13-15-5-1-2-6-16(15)20(22)24/h1-8,14,20H,9-13,24H2/t20-/m1/s1
InChIKeyVPKFFIGORYMMEG-HXUWFJFHSA-N
XLogP4.03
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.91
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[6-(2-chlorophenyl)-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[6-(2-chlorophenyl)-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 155164169) is (1S)-1'-[6-(2-chlorophenyl)-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[6-(2-chlorophenyl)-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[6-(2-chlorophenyl)-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1ncc(-c3ccccc3Cl)nn1)CC2.
What is the InChIKey of (1S)-1'-[6-(2-chlorophenyl)-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is VPKFFIGORYMMEG-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H22ClN5/c23-18-8-4-3-7-17(18)19-14-25-21(27-26-19)28-11-9-22(10-12-28)13-15-5-1-2-6-16(15)20(22)24/h1-8,14,20H,9-13,24H2/t20-/m1/s1.
What are the key properties of (1S)-1'-[6-(2-chlorophenyl)-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[6-(2-chlorophenyl)-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 391.91 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[6-(2-chlorophenyl)-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 155164169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).