(5S,10S)-2-methyl-5,10-diphenyl-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline

C23H19N3 — CID 102092598

IUPAC(5S,10S)-2-methyl-5,10-diphenyl-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline
SMILESCc1nc2n(n1)[C@@H](c1ccccc1)c1ccccc1[C@@H]2c1ccccc1
InChIInChI=1S/C23H19N3/c1-16-24-23-21(17-10-4-2-5-11-17)19-14-8-9-15-20(19)22(26(23)25-16)18-12-6-3-7-13-18/h2-15,21-22H,1H3/t21-,22-/m0/s1
InChIKeyCSBVEVIKZGVAJA-VXKWHMMOSA-N
MW337.43 g/mol
LogP4.72
Rot. Bonds2

About (5S,10S)-2-methyl-5,10-diphenyl-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline

(5S,10S)-2-methyl-5,10-diphenyl-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline (PubChem CID 102092598) has the molecular formula C23H19N3 and a molecular weight of 337.43 g/mol. Its IUPAC name is (5S,10S)-2-methyl-5,10-diphenyl-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline.

Molecular Properties

Compound Name(5S,10S)-2-methyl-5,10-diphenyl-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline
PubChem CID102092598
Molecular FormulaC23H19N3
Molecular Weight337.43 g/mol
Exact Mass337.16
IUPAC Name(5S,10S)-2-methyl-5,10-diphenyl-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline
SMILESCc1nc2n(n1)[C@@H](c1ccccc1)c1ccccc1[C@@H]2c1ccccc1
InChIInChI=1S/C23H19N3/c1-16-24-23-21(17-10-4-2-5-11-17)19-14-8-9-15-20(19)22(26(23)25-16)18-12-6-3-7-13-18/h2-15,21-22H,1H3/t21-,22-/m0/s1
InChIKeyCSBVEVIKZGVAJA-VXKWHMMOSA-N
XLogP4.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,10S)-2-methyl-5,10-diphenyl-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline?
The IUPAC name of (5S,10S)-2-methyl-5,10-diphenyl-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline (CID 102092598) is (5S,10S)-2-methyl-5,10-diphenyl-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline.
What is the SMILES notation for (5S,10S)-2-methyl-5,10-diphenyl-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline?
The canonical SMILES for (5S,10S)-2-methyl-5,10-diphenyl-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline is Cc1nc2n(n1)[C@@H](c1ccccc1)c1ccccc1[C@@H]2c1ccccc1.
What is the InChIKey of (5S,10S)-2-methyl-5,10-diphenyl-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline?
The InChIKey is CSBVEVIKZGVAJA-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H19N3/c1-16-24-23-21(17-10-4-2-5-11-17)19-14-8-9-15-20(19)22(26(23)25-16)18-12-6-3-7-13-18/h2-15,21-22H,1H3/t21-,22-/m0/s1.
What are the key properties of (5S,10S)-2-methyl-5,10-diphenyl-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline?
(5S,10S)-2-methyl-5,10-diphenyl-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline has a molecular weight of 337.43 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10S)-2-methyl-5,10-diphenyl-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline is sourced from PubChem (CID 102092598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).