7-(2-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)isoquinoline

C22H15N5 — CID 167962373

IUPAC7-(2-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)isoquinoline
SMILESc1ccc(-n2nc(-c3ccccn3)nc2-c2ccc3ccncc3c2)cc1
InChIInChI=1S/C22H15N5/c1-2-6-19(7-3-1)27-22(25-21(26-27)20-8-4-5-12-24-20)17-10-9-16-11-13-23-15-18(16)14-17/h1-15H
InChIKeyGUKCARPIVKJYHC-UHFFFAOYSA-N
MW349.40 g/mol
LogP4.54
Rot. Bonds3

About 7-(2-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)isoquinoline

7-(2-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)isoquinoline (PubChem CID 167962373) has the molecular formula C22H15N5 and a molecular weight of 349.40 g/mol. Its IUPAC name is 7-(2-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)isoquinoline.

Molecular Properties

Compound Name7-(2-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)isoquinoline
PubChem CID167962373
Molecular FormulaC22H15N5
Molecular Weight349.40 g/mol
Exact Mass349.13
IUPAC Name7-(2-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)isoquinoline
SMILESc1ccc(-n2nc(-c3ccccn3)nc2-c2ccc3ccncc3c2)cc1
InChIInChI=1S/C22H15N5/c1-2-6-19(7-3-1)27-22(25-21(26-27)20-8-4-5-12-24-20)17-10-9-16-11-13-23-15-18(16)14-17/h1-15H
InChIKeyGUKCARPIVKJYHC-UHFFFAOYSA-N
XLogP4.54
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)isoquinoline?
The IUPAC name of 7-(2-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)isoquinoline (CID 167962373) is 7-(2-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)isoquinoline.
What is the SMILES notation for 7-(2-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)isoquinoline?
The canonical SMILES for 7-(2-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)isoquinoline is c1ccc(-n2nc(-c3ccccn3)nc2-c2ccc3ccncc3c2)cc1.
What is the InChIKey of 7-(2-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)isoquinoline?
The InChIKey is GUKCARPIVKJYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5/c1-2-6-19(7-3-1)27-22(25-21(26-27)20-8-4-5-12-24-20)17-10-9-16-11-13-23-15-18(16)14-17/h1-15H.
What are the key properties of 7-(2-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)isoquinoline?
7-(2-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)isoquinoline has a molecular weight of 349.40 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)isoquinoline is sourced from PubChem (CID 167962373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).