6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine

C19H17N5 — CID 18524077

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nnc2c3ccccc3c(N3CCc4ccccc4C3)nn12
InChIInChI=1S/C19H17N5/c1-13-20-21-18-16-8-4-5-9-17(16)19(22-24(13)18)23-11-10-14-6-2-3-7-15(14)12-23/h2-9H,10-12H2,1H3
InChIKeyNMJYSGXBNVGFPT-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.15
Rot. Bonds1

About 6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine

6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 18524077) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID18524077
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nnc2c3ccccc3c(N3CCc4ccccc4C3)nn12
InChIInChI=1S/C19H17N5/c1-13-20-21-18-16-8-4-5-9-17(16)19(22-24(13)18)23-11-10-14-6-2-3-7-15(14)12-23/h2-9H,10-12H2,1H3
InChIKeyNMJYSGXBNVGFPT-UHFFFAOYSA-N
XLogP3.15
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine (CID 18524077) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine is Cc1nnc2c3ccccc3c(N3CCc4ccccc4C3)nn12.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is NMJYSGXBNVGFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-13-20-21-18-16-8-4-5-9-17(16)19(22-24(13)18)23-11-10-14-6-2-3-7-15(14)12-23/h2-9H,10-12H2,1H3.
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 315.38 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 18524077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).