2-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine

C14H17N5 — CID 114787324

IUPAC2-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCc1nnc(N2CCc3ccc(N)cc3C2)nc1C
InChIInChI=1S/C14H17N5/c1-9-10(2)17-18-14(16-9)19-6-5-11-3-4-13(15)7-12(11)8-19/h3-4,7H,5-6,8,15H2,1-2H3
InChIKeySBQFBHSEPGOJLL-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.63
Rot. Bonds1

About 2-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine

2-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 114787324) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name2-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID114787324
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name2-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCc1nnc(N2CCc3ccc(N)cc3C2)nc1C
InChIInChI=1S/C14H17N5/c1-9-10(2)17-18-14(16-9)19-6-5-11-3-4-13(15)7-12(11)8-19/h3-4,7H,5-6,8,15H2,1-2H3
InChIKeySBQFBHSEPGOJLL-UHFFFAOYSA-N
XLogP1.63
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of 2-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine (CID 114787324) is 2-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 2-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for 2-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine is Cc1nnc(N2CCc3ccc(N)cc3C2)nc1C.
What is the InChIKey of 2-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is SBQFBHSEPGOJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-9-10(2)17-18-14(16-9)19-6-5-11-3-4-13(15)7-12(11)8-19/h3-4,7H,5-6,8,15H2,1-2H3.
What are the key properties of 2-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine?
2-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 255.32 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 114787324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).