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

C13H17N5 — CID 114244272

IUPACN,N-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-1,2,4-triazol-3-amine
SMILESCN(C)c1n[nH]c(C2Cc3ccccc3CN2)n1
InChIInChI=1S/C13H17N5/c1-18(2)13-15-12(16-17-13)11-7-9-5-3-4-6-10(9)8-14-11/h3-6,11,14H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyNMZKRXPPOHKPNO-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.26
Rot. Bonds2

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

N,N-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 114244272) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N,N-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-1,2,4-triazol-3-amine
PubChem CID114244272
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN,N-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-1,2,4-triazol-3-amine
SMILESCN(C)c1n[nH]c(C2Cc3ccccc3CN2)n1
InChIInChI=1S/C13H17N5/c1-18(2)13-15-12(16-17-13)11-7-9-5-3-4-6-10(9)8-14-11/h3-6,11,14H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyNMZKRXPPOHKPNO-UHFFFAOYSA-N
XLogP1.26
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of N,N-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-1,2,4-triazol-3-amine (CID 114244272) is N,N-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-1,2,4-triazol-3-amine is CN(C)c1n[nH]c(C2Cc3ccccc3CN2)n1.
What is the InChIKey of N,N-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is NMZKRXPPOHKPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-18(2)13-15-12(16-17-13)11-7-9-5-3-4-6-10(9)8-14-11/h3-6,11,14H,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of N,N-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-1,2,4-triazol-3-amine?
N,N-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 243.31 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 114244272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).