(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide

C15H19N5O — CID 95980822

IUPAC(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCc1nc(NC(=O)[C@@H](C)N2CCc3ccccc3C2)n[nH]1
InChIInChI=1S/C15H19N5O/c1-10(14(21)17-15-16-11(2)18-19-15)20-8-7-12-5-3-4-6-13(12)9-20/h3-6,10H,7-9H2,1-2H3,(H2,16,17,18,19,21)/t10-/m1/s1
InChIKeyCLNSOTJGPQFVNG-SNVBAGLBSA-N
MW285.35 g/mol
LogP1.50
Rot. Bonds3

About (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide

(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 95980822) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID95980822
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCc1nc(NC(=O)[C@@H](C)N2CCc3ccccc3C2)n[nH]1
InChIInChI=1S/C15H19N5O/c1-10(14(21)17-15-16-11(2)18-19-15)20-8-7-12-5-3-4-6-13(12)9-20/h3-6,10H,7-9H2,1-2H3,(H2,16,17,18,19,21)/t10-/m1/s1
InChIKeyCLNSOTJGPQFVNG-SNVBAGLBSA-N
XLogP1.50
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide (CID 95980822) is (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide is Cc1nc(NC(=O)[C@@H](C)N2CCc3ccccc3C2)n[nH]1.
What is the InChIKey of (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is CLNSOTJGPQFVNG-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10(14(21)17-15-16-11(2)18-19-15)20-8-7-12-5-3-4-6-13(12)9-20/h3-6,10H,7-9H2,1-2H3,(H2,16,17,18,19,21)/t10-/m1/s1.
What are the key properties of (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 285.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 95980822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).