N,4-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-triazol-3-amine

C15H21N5 — CID 115945513

IUPACN,4-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-triazol-3-amine
SMILESCCNc1nnc(C2Cc3ccccc3CN2)n1CC
InChIInChI=1S/C15H21N5/c1-3-16-15-19-18-14(20(15)4-2)13-9-11-7-5-6-8-12(11)10-17-13/h5-8,13,17H,3-4,9-10H2,1-2H3,(H,16,19)
InChIKeyPJOOMLDXMBRYNV-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.12
Rot. Bonds4

About N,4-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-triazol-3-amine

N,4-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-triazol-3-amine (PubChem CID 115945513) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N,4-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-triazol-3-amine
PubChem CID115945513
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN,4-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-triazol-3-amine
SMILESCCNc1nnc(C2Cc3ccccc3CN2)n1CC
InChIInChI=1S/C15H21N5/c1-3-16-15-19-18-14(20(15)4-2)13-9-11-7-5-6-8-12(11)10-17-13/h5-8,13,17H,3-4,9-10H2,1-2H3,(H,16,19)
InChIKeyPJOOMLDXMBRYNV-UHFFFAOYSA-N
XLogP2.12
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-triazol-3-amine (CID 115945513) is N,4-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-triazol-3-amine is CCNc1nnc(C2Cc3ccccc3CN2)n1CC.
What is the InChIKey of N,4-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-triazol-3-amine?
The InChIKey is PJOOMLDXMBRYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-3-16-15-19-18-14(20(15)4-2)13-9-11-7-5-6-8-12(11)10-17-13/h5-8,13,17H,3-4,9-10H2,1-2H3,(H,16,19).
What are the key properties of N,4-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-triazol-3-amine?
N,4-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-triazol-3-amine has a molecular weight of 271.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 115945513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).